Acetylcysteine
PubChem CID: 12035
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| Compound Synonyms | N-Acetyl-L-cysteine, acetylcysteine, 616-91-1, N-Acetylcysteine, mercapturic acid, Acetadote, L-Acetylcysteine, Broncholysin, Mucomyst, Fluimucetin, N-Acetyl-cysteine, Fluimucil, Parvolex, Respaire, Acetein, Acetilcisteina, Flumucetin, Fluprowit, N-Acetyl cysteine, Airbron, Brunac, Fabrol, Mucosil, L-Cysteine, N-acetyl-, Fluimicil Infantil, Acetylcysteinum, Mucosolvin, Syntemucol, Lysomucil, Mucofilin, acetyl cysteine, Inspir, Tixair, Mucolyticum Lappe, Mucolytikum Lappe, N-Acetyl-3-mercaptoalanine, (R)-2-Acetamido-3-mercaptopropanoic acid, Mucolyticum, Cetylev, Exomuc, Neo-fluimucil, Ac-Cys-OH, Cysteine, N-acetyl-, L-, Mucolyticum-Lappe, N-Acetyl-L-(+)-cysteine, NAC-TB, Acetyl-L-cysteine, component of Naxid, Mercapturic acid, (R)-, (2R)-2-acetamido-3-sulfanylpropanoic acid, Fluatox, Fluimicil, Mucolator, Flumil, Mucret, (R)-mercapturic acid, Muco sanigen, Oristar nalc, MUCOSIL-10, MUCOSIL-20, N-acetyi-l-cysteine, L-alpha-Acetamido-beta-mercaptopropionic acid, CCRIS 3764, Mucocedyl, N-acetyl-(R)-cysteine, NSC 111180, UNII-WYQ7N0BPYC, WYQ7N0BPYC, HSDB 3003, EINECS 210-498-3, (2R)-2-Acetamido-3-sulfanyl-propanoic acid, MFCD00004880, Acetylcysteinum [INN-Latin], Acetilcisteina [INN-Spanish], Ilube (eye drops), N-A-C Sustain, NSC-111180, (r)-n-acetylcysteine, DTXSID5020021, CHEBI:28939, cysteine, N-acetyl-, RK-0202, DTXCID4021, MLS000028419, (R)-2-acetylamino-3-mercaptopropanoic acid, (2R)-2-acetylamino-3-sulfanylpropanoic acid, NSC111180, NCGC00022304-05, N-Acetyl-L-cysteine hydrochloride, SMR000058377, Acetylcysteine [USAN:USP:INN:BAN:JAN], ACETYLCYSTEINE (II), ACETYLCYSTEINE [II], Acetylcysteinum (INN-Latin), Acetilcisteina (INN-Spanish), ACETYLCYSTEINE (MART.), ACETYLCYSTEINE [MART.], LNAC, ACETYLCYSTEINE (USP-RS), ACETYLCYSTEINE [USP-RS], Ilube, N-acetylcystein, ACETYLCYSTEINE (EP MONOGRAPH), ACETYLCYSTEINE [EP MONOGRAPH], N Acetylcysteine, ACETYLCYSTEINE (USP MONOGRAPH), ACETYLCYSTEINE [USP MONOGRAPH], Acid, Mercapturic, Acetylcysteine (USAN:USP:INN:BAN:JAN), CAS-616-91-1, N Acetyl L cysteine, N-Acetyl-N-Cysteine, SR-01000075439, Acetylcysteine Ph. Eur., DTXSID8048105, AcCys, N-acetyl-l-cys, Sodium 2-acetamido-3-mercaptopropionate, Tris-NAC, SC2, N-acetyl-L-cystein, Naxid (Salt/Mix), N-Acety-L-Cysteine, Acetyl Cysteine,(S), Acetylcysteine Injection, Opera_ID_452, MUCOMYST (TN), Spectrum2_000086, Spectrum3_000287, Spectrum4_000137, Spectrum5_000764, AC-L-CYS-OH, Acetylcysteine (Standard), CHEMBL600, NAC & TNF, ACETYLCYSTEINE [MI], SCHEMBL5292, (2R)-2-(acetylamino)-3-sulfanylpropanoic acid, ACETYLCYSTEINE [INN], ACETYLCYSTEINE [JAN], Lopac0_000081, ACETYLCYSTEINE [HSDB], ACETYLCYSTEINE [USAN], BSPBio_001794, KBioGR_000554, MLS001076125, MLS006011563, ACETYLCYSTEINE [VANDF], SPECTRUM1500105, SPBio_000012, ACETYLCYSTEINE [WHO-DD], Acetylcysteine(N-acetylcysteine), BRONCHOLYSIN (MUCOLYTIC), DTXCID6028076, CHEBI:22198, GTPL10945, HY-B0215R, KBio3_001294, N-Acetyl-L-cysteine, USP grade, R05CB01, S01XA08, V03AB23, Acetylcysteine (JP18/USP/INN), GLXC-15143, HMS1920A11, HMS2091G11, HMS2234J22, HMS3260A04, HMS3655G11, HMS3715D03, HMS3884E04, HY-B0215, 2-Acetylamino-3-mercapto-propionate, ACETYLCYSTEINE [ORANGE BOOK], Tox21_110877, Tox21_201078, Tox21_500081, acetylcysteine (n-acetyl-l-cysteine), BDBM50420190, CCG-38902, s1623, AKOS015841009, Tox21_110877_1, CCG-204176, DB06151, FA10890, GS-3121, LP00081, SDCCGSBI-0050069.P002, (R)-2-Acetamido-3-mercaptopropanoicacid, NCGC00015086-04, NCGC00022304-03, NCGC00022304-04, NCGC00022304-06, NCGC00022304-07, NCGC00022304-08, NCGC00022304-17, NCGC00022304-21, NCGC00022304-23, NCGC00258631-01, NCGC00260766-01, AC-16071, AC-24117, BP-12854, FA138512, propanoic acid, 2-acetylamino-3-mercapto-, SBI-0051272.P003, DB-038288, A0905, EU-0100081, NS00069131, SW199597-2, (2R)-2-acetylamino-3-mercapto-propionic acid, EN300-72028, A 7250, C06809, D00221, L-Cysteine, N-acetyl- & Tumor necrosis factor, N-Acetyl-L-cysteine, BioXtra, >=99% (TLC), AB00051908_02, AB00382974-12, AB00382974_13, L-.alpha.-Acetamido-.beta.-mercaptopropionic acid, Q375613, N-Acetyl-L-cysteine & Tumor necrosis factor (TNF), N-Acetyl-L-cysteine 100 microg/mL in Acetonitrile, SR-01000075439-1, SR-01000075439-3, SR-01000075439-5, BRD-K59058747-001-18-3, BRD-K59058747-001-19-1, BRD-K59058747-001-20-9, N-Acetyl-L-cysteine - Non-animal and non-human origin, N-Acetyl-L-cysteine, cell culture tested, BioReagent, N-Acetyl-L-cysteine, Vetec(TM) reagent grade, 98%, F1905-7178, Z1143441555, CABC898A-E48B-4E13-9F72-98D0609A1854, N-Acetyl-L-cysteine, SAJ special grade, 98.0-102.0%, N-Acetyl-L-cysteine, Sigma Grade, >=99% (TLC), powder, Acetylcysteine, British Pharmacopoeia (BP) Reference Standard, Acetylcysteine, European Pharmacopoeia (EP) Reference Standard, Acetylcysteine, United States Pharmacopeia (USP) Reference Standard, N-Acetyl-L-cysteine, Pharmaceutical Secondary Standard, Certified Reference Material, 210-498-3 |
|---|---|
| Topological Polar Surface Area | 67.4 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 10.0 |
| Description | Effective inhibitor of enzymic browning in foods [DFC] N-Acetyl-L-cysteine is a pharmaceutical drug and nutritional supplement used primarily as a mucolytic agent and in the management of paracetamol (acetaminophen) overdose. Other uses include sulfate repletion in conditions, such as autism, where cysteine and related sulfur amino acids may be depleted. N-Acetyl-L-cysteine is a precursor in the formation of the antioxidant glutathione in the body. The thiol group confers antioxidant effects and is able to reduce free radicals. [Wikipedia]. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 148.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Enzyme Uniprot Id | Q6IB77, Q969I3, Q8WU03 |
| Uniprot Id | Q9Y6L6, O15245, n.a., P19838, B2RXH2, Q16637, P10828, P10636, Q9F4F7, P16050, P46063, P54132, P40225, P08482, O75164, O15648, P21728, Q96KQ7, Q99700, P04150, P39748, P49798, Q96RI1, P11473, P25094, O35956, O75496, Q9R1A7, Q9NPD5, O94782, P15289, P63092, Q969S8, Q99R76, Q8NUQ6, Q2FDU6, P40763, P0DTD1, P04792 |
| Iupac Name | (2R)-2-acetamido-3-sulfanylpropanoic acid |
| Prediction Hob | 0.0 |
| Class | Carboxylic acids and derivatives |
| Target Id | NPT163, NPT48, NPT93, NPT46, NPT51, NPT792, NPT47, NPT58, NPT96 |
| Xlogp | 0.4 |
| Superclass | Organic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Molecular Formula | C5H9NO3S |
| Prediction Swissadme | 1.0 |
| Inchi Key | PWKSKIMOESPYIA-BYPYZUCNSA-N |
| Fcsp3 | 0.6 |
| Logs | -0.688 |
| Rotatable Bond Count | 3.0 |
| State | Solid |
| Logd | -0.913 |
| Synonyms | (2R)-2-(Acetylamino)-3-mercaptopropanoic acid, (2R)-2-Acetamido-3-sulfanyl-propanoic acid, (2R)-2-acetylamino-3-Sulfanylpropanoate, (2R)-2-Acetylamino-3-sulfanylpropanoic acid, (2R)-2-acetylamino-3-Sulphanylpropanoate, (2R)-2-acetylamino-3-Sulphanylpropanoic acid, (R)-2-acetylamino-3-Mercaptopropanoate, (R)-2-Acetylamino-3-mercaptopropanoic acid, (R)-Mercaptate, (R)-Mercaptic acid, (R)-Mercapturic acid, 2-Acetylamino-3-mercapto-propionate, 2-Acetylamino-3-mercapto-propionic acid, Acetadote, Acetein, Acetilcisteina, Acetylcysteine, Acetylcysteinum, Airbron, Fabrol, Fluimicil infantil, Fluimucetin, Flumucetin, Fluprowit, L-2-Acetamido-3-mercaptopropanoic acid, L-a-acetamido-b-Mercaptopropionate, L-a-acetamido-b-Mercaptopropionic acid, L-Acetylcysteine, L-alpha-acetamido-beta-Mercaptopropionate, L-alpha-Acetamido-beta-mercaptopropionic acid, L-α-acetamido-β-mercaptopropionate, L-α-acetamido-β-mercaptopropionic acid, Lysomucil, Mercaptate, Mercaptic acid, Mercapturic acid, Mucomyst, N-Acety-L-cysteine, N-Acetyl cysteine, N-Acetyl-3-mercaptoalanine, N-Acetyl-L-(+)-cysteine, N-Acetyl-L-cysteine, N-Acetylcysteine, N-Acetylcysteine, L-form, NAC, NSC 111180, Parvolex, Respaire, Sodium 2-acetamido-3-mercaptopropionate, (2R)-2-Acetylamino-3-sulfanylpropanoate, (2R)-2-Acetylamino-3-sulphanylpropanoate, (2R)-2-Acetylamino-3-sulphanylpropanoic acid, (R)-2-Acetylamino-3-mercaptopropanoate, L-a-Acetamido-b-mercaptopropionate, L-a-Acetamido-b-mercaptopropionic acid, L-alpha-Acetamido-beta-mercaptopropionate, L-Α-acetamido-β-mercaptopropionate, L-Α-acetamido-β-mercaptopropionic acid, 2-acetylamino-3-mercapto-Propionate, 2-acetylamino-3-mercapto-Propionic acid, Acemuc, Acetylcysteine alcon brand, Acetylcysteine betapharm brand, Acetylcysteine bouchara brand, Acetylcysteine farmasan brand, Acetylcysteine fresenius brand, Acetylcysteine inpharzam brand, Acetylcysteine klinge brand, Acetylcysteine lindopharm brand, Acetylcysteine pharbita brand, Acetylcysteine whitehall brand, Acetylcysteine, monosodium salt, Acétylcystéine GNR, Allen and hanburys brand OF acetylcysteine, Bioiberica brand OF acetylcysteine, Bristol myers squibb brand OF acetylcysteine, Bromuc, Dey brand OF acetylcysteine sodium salt, Eurespiran, Exomuc, Fresenius brand OF acetylcysteine, GNR Pharma brand OF acetylcysteine, GNR-Pharma brand OF acetylcysteine, Genac, Génévrier brand OF acetylcysteine, Hermes brand OF acetylcysteine, Heumann brand OF acetylcysteine, Monosodium salt acetylcysteine, Mucosil, NAC al, NAC, bisolvon, Oberlin brand OF acetylcysteine, Pfleger brand OF acetylcysteine, Produpharm lappe brand OF acetylcysteine, Roberts brand OF acetylcysteine, Roche nicholas brand OF acetylcysteine, Siran, Sodium, acetylcysteine, Temmler brand OF acetylcysteine, Teva brand OF acetylcysteine, Zambon brand OF acetylcysteine, Zambon, nac, Acetylcystein atid, Acetylcystein, mentopin, Acetylcysteine azupharma brand, Acetylcysteine centrafarm brand, Acetylcysteine hermes brand, Acetylcysteine krewel brand, Acetylcysteine temmler brand, Acetylcysteine teva brand, Acetylcysteine upsa brand, Acetylcysteine zyma brand, Acetylcysteine, (DL)-isomer, Betapharm brand OF acetylcysteine, Bristol myers squibb brand OF acetylcysteine sodium salt, Disphar brand OF acetylcysteine, Farmasan brand OF acetylcysteine, Fluimucil, Jenapharm, Klinge brand OF acetylcysteine, Lindopharm brand OF acetylcysteine, MPectil, Merck brand OF acetylcysteine, Mucosol, NAC zambon, Siccoral, Trommsdorff brand OF acetylcysteine, Zyma brand OF acetylcysteine, Mentopin acetylcystein, Acetylcystein al, Acetylcystein heumann, Acetylcystein trom, Acetylcysteine aluid brand, Acetylcysteine disphar brand, Acetylcysteine GNR-pharma brand, Acetylcysteine lichtenstein brand, Acetylcysteine merck brand, Acetylcysteine oberlin brand, Acetylcysteine roberts brand, Acetylcysteine sodium, Acetylcysteine thiemann brand, Acetylcysteine zinc, Acetylcysteine, monoammonium salt, Acetyst, Acid, mercapturic, Alcon brand OF acetylcysteine, Aluid brand OF acetylcysteine, Alveolex, Atid brand OF acetylcysteine, Azubronchin, Boehringer ingelheim brand OF acetylcysteine, Bristol-myers squibb brand OF acetylcysteine sodium salt, broncho Fips, Broncholysin, Centrafarm brand OF acetylcysteine, Codotussyl, Cystamucil, dampo Mucopect, Hoestil, Hustengetränk, optipect, Inpharzam brand OF acetylcysteine, Intra brand OF acetylcysteine, Larylin nac, Lindocetyl, m Pectil, Mucopect, dampo, Mucosolvin, Optipect hustengetränk, Sanigen, muco, Solmucol, Thiemann brand OF acetylcysteine, Whitehall brand OF acetylcysteine, Zinc, acetylcysteine, Acebraus, Durabronchal, Acetabs, Acetylcysteine atid brand, Acetylcysteine bioiberica brand, Acetylcysteine guerbet brand, Acetylcysteine génévrier brand, Acetylcysteine heumann brand, Acetylcysteine hydrochloride, Acetylcysteine intra brand, Acetylcysteine pfleger brand, Acetylcysteine trommsdorff brand, Acetylcysteine zambon brand, Acetylcysteine ac-pharma brand, Acetylcysteine, (D)-isomer, Acetylin, Azupharma brand OF acetylcysteine, Bisolvon nac, Bouchara brand OF acetylcysteine, Bristol-myers squibb brand OF acetylcysteine, broncho-Fips, BronchoFips, Broncoclar, Frekatuss, Guerbet brand OF acetylcysteine, Hydrochloride, acetylcysteine, Ilube, Jenacystein, Krewel brand OF acetylcysteine, Lantamed, Lichtenstein brand OF acetylcysteine, m-Pectil, Monoammonium salt acetylcysteine, Muciteran, muco Sanigen, N Acetyl L cysteine, N Acetylcysteine, Pharbita brand OF acetylcysteine, UPSA brand OF acetylcysteine, Ac pharma brand OF acetylcysteine, Ac-pharma brand OF acetylcysteine |
| Substituent Name | N-acyl-aliphatic-alpha amino acid, N-acyl-l-alpha-amino acid, Acetamide, Secondary carboxylic acid amide, Carboxamide group, Monocarboxylic acid or derivatives, Carboxylic acid, Carboxylic acid amide, Alkylthiol, Hydrocarbon derivative, Organosulfur compound, Organooxygen compound, Organonitrogen compound, Carbonyl group, Aliphatic acyclic compound |
| Compound Name | Acetylcysteine |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 163.03 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 163.03 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 163.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -0.6475275999999999 |
| Inchi | InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1 |
| Smiles | CC(=O)N[C@@H](CS)C(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | N-acyl-L-alpha-amino acids |
- 1. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Celastrus Orbiculatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Elsholtzia Ciliata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Phytolacca Americana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all