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Pilocarpine

PubChem CID: 5910

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Compound Synonyms pilocarpine, 92-13-7, Pilokarpin, Pilocarpol, Syncarpine, Ocusert pilo, Pilocarpin, Spersacarpine, Pilokarpol, (+)-Pilocarpine, Ocusert pilo-20, Ocusert Pilo-40, Ocusert P 20, ocucarpine, Isoptocarpine, Pilocarpine chloride, Pilocarpinum, HSDB 3163, EINECS 202-128-4, UNII-01MI4Q9DI3, (3S,4R)-3-Ethyl-4-((1-methyl-1H-imidazol-5-yl)methyl)dihydrofuran-2(3H)-one, (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one, 01MI4Q9DI3, CHEBI:8207, DTXSID1021162, AI3-50523, CHEMBL550, (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one, (3S-cis)-3-Ethyldihydro-4-((1-methyl-1H-imidazol-5-yl)methyl)-2(3H)-furanone, Imidazole-5-butyric acid, alpha-ethyl-beta-(hydroxymethyl)-1-methyl-, gamma-lactone, Pilocarpine [USP:BAN:JAN], DTXCID901162, (3S,4R)-3-ethyldihydro-4-((1-methyl-1H-imidazol-5-yl)methyl)-2(3H)-furanone, (3S-cis)-3-ethyldihydro-4-[(1-methyl-1H-imidazol-5-yl)methyl]-2(3H)-furanone, 2(3H)-Furanone, 3-ethyldihydro-4-((1-methyl-1H-imidazol-5-yl)methyl)-, (3S,4R)-, 92-13-7 (FREE BASE), NCGC00023339-09, Pilocarpine 100 microg/mL in Acetonitrile, (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]oxolan-2-one, 2(3H)-Furanone, 3-ethyldihydro-4-[(1-methyl-1H-imidazol-5-yl)methyl]-, (3S,4R)-, PILOCARPINE (MART.), PILOCARPINE [MART.], PILOCARPINE (USP-RS), PILOCARPINE [USP-RS], Pilocarpine (USP:BAN:JAN), Pilocarpine nitrate salt, PILOCARPINE (USP MONOGRAPH), PILOCARPINE [USP MONOGRAPH], Pilocarpine, (+)-, CAS-92-13-7, Pilocarpine (JAN/USP), Ocusert pilo-20 (TN), Pilocarpina, Ocucarpine, Ocusert P 20, Ocusert Pilo, Spectrum_001107, Tocris-0694, PILOCARPINE [MI], Prestwick0_000449, Prestwick1_000449, Prestwick2_000449, Prestwick3_000449, Spectrum2_001284, Spectrum3_000546, Spectrum4_000478, Spectrum5_001379, PILOCARPINE [JAN], PILOCARPINE [HSDB], PILOCARPINE [VANDF], PILOCARPINUM [HPUS], Lopac0_000950, Lopac0_000960, SCHEMBL15146, BSPBio_000498, BSPBio_002191, GTPL305, KBioGR_000956, KBioSS_001587, PILOCARPINE [WHO-DD], BIDD:GT0217, DivK1c_000358, SPBio_001287, SPBio_002437, BPBio1_000548, CHEBI:39462, HY-B0726A, KBio1_000358, KBio2_001587, KBio2_004155, KBio2_006723, KBio3_001691, PILOCARPINE [ORANGE BOOK], NINDS_000358, GLXC-20879, HMS2089K17, Tox21_110887, BDBM50008072, MFCD00153042, (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]tetrahydrofuran-2-one, AKOS016010311, Tox21_110887_1, (3S-CIS)-3-ETHYLDIHYDRO-4-, CCG-205031, DB01085, FP05587, SDCCGMLS-0003164.P005, SDCCGSBI-0050924.P006, IDI1_000358, NCGC00023339-03, NCGC00023339-06, NCGC00023339-07, NCGC00023339-08, NCGC00023339-10, NCGC00023339-11, NCGC00023339-12, NCGC00023339-13, NCGC00023339-14, NCGC00023339-16, NCGC00023339-27, NCGC00023339-28, 1ST40310, BS-18966, DA-76884, NCI60_004403, SBI-0050924.P004, CS-0013746, NS00007560, C07474, D00525, E87145, AB00053525-27, AB00053525_28, AB00053525_29, EN300-19632236, Q411461, BRD-K85090592-003-18-6, BRD-K85090592-003-19-4, BRD-K85090592-008-05-2, BRD-K85090592-008-15-1, BRD-K85090592-008-22-7, SR-01000075339-11, (3S,4R)-3-Ethyl-4-(1-methyl-1H-imidazol-5-ylmethyl)-4,5-dihydrofuran-2(3H)-one, rel-(3R,4S)-3-ethyl-4-((1-methyl-1H-imidazol-5-yl)methyl)dihydrofuran-2(3H)-one, 102282-25-7, 202-128-4
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 44.1
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Scaffold Graph Level CC1CCC(CC2CCCC2)C1
Np Classifier Class Imidazole alkaloids
Deep Smiles CC[C@@H]C=O)OC[C@@H]5Cccncn5C
Heavy Atom Count 15.0
Scaffold Graph Node Level OC1CC(CC2CNCN2)CO1
Isotope Atom Count 0.0
Molecular Complexity 245.0
Database Name hmdb_chem_all;imppat_phytochem;pubchem
Defined Atom Stereocenter Count 2.0
Uniprot Id P08684, P05181, P11509, P20309, P11229, P08172
Iupac Name (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one
Veber Rule True
Classyfire Superclass Alkaloids and derivatives
Xlogp 1.1
Superclass Alkaloids and derivatives
Gsk 4 400 Rule True
Molecular Formula C11H16N2O2
Scaffold Graph Node Bond Level O=C1CC(Cc2cnc[nH]2)CO1
Inchi Key QCHFTSOMWOSFHM-WPRPVWTQSA-N
Silicos It Class Soluble
Rotatable Bond Count 3.0
State Solid
Synonyms (3S,4R)-3-Ethyldihydro-4-((1-methyl-1H-imidazol-5-yl)methyl)-2(3H)-furanone, (3S-cis)-3-Ethyldihydro-4-[(1-methyl-1H-imidazol-5-yl)methyl]-2(3H)-furanone, Ocusert pilo-20, Adsorbocarpine, beta-Pilocarpine hydrochloride, Pilocarpin, Pilocarpine chloride, Pilocarpine HCL, Pilocarpine hydrochloride, Pilocarpine monohydrochloride, Pilocarpine muriate, Pilokarpin, Pilokarpin monohydrochloride, Spersacarpine, Spersacarpine hydrochloride, Hydrochloride, pilocarpine, Isopilocarpine, Nitrate, pilocarpine, Pilocarpine mononitrate, (3S-cis)-isomer, Pilocarpine, monohydrochloride, (3S-cis)-isomer, Salagen, Ocusert, Isoptocarpine, Pilocarpine nitrate, Pilocarpine, pilocarpine
Esol Class Very soluble
Functional Groups COC(C)=O, cn(c)C, cnc
Compound Name Pilocarpine
Kingdom Organic compounds
Exact Mass 208.121
Formal Charge 0.0
Monoisotopic Mass 208.121
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 208.26
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aromatic heteromonocyclic compounds
Lipinski Rule Of 5 True
Inchi InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1
Smiles CC[C@H]1[C@H](COC1=O)CC2=CN=CN2C
Np Classifier Biosynthetic Pathway Alkaloids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent Alkaloids and derivatives
Np Classifier Superclass Histidine alkaloids

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