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Amikacin

PubChem CID: 37768

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Compound Synonyms amikacin, 37517-28-5, Amicacin, Lukadin, amikacine, Amikacina, Amikacinum, Amikavet, Amikin, Arikace, Amikacillin, Mikavir, Potentox, Antibiotic BB-K 8, Amukin, Amikacine [INN-French], Amikacinum [INN-Latin], Amikacina [INN-Spanish], Amikacin Base, BB-K8, Kaminax, Amikozit, 1-N-(L(-)-gamma-Amino-alpha-hydroxybutyryl)kanamycin A, CHEBI:2637, BAY 41-6551, HSDB 3583, Arikayce liposomal, Amikacin free base, EINECS 253-538-5, Briclin, NSC 177001, UNII-84319SGC3C, DTXSID3022586, Amiglyde-V, 84319SGC3C, NSC-177001, Amikacin [USP:INN:BAN], ANTIBIOTIC BB-K8, DTXCID002586, (2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide, O-3-Amino-3-deoxy-alpha-D-glucopyranosyl-(1-4)-O-(6-amino-6-deoxy-alpha-D-glucopyranosyl-(1-6))-N(sup 3)-(4-amino-L-2-hydroxybutyryl)-2-deoxy-L-streptamine, MAT2501, N1-[(S)-4-Amino-2-hydroxybutyryl]kanamycin A, 37517-28-5 (free base), Amikacin Dihydrate, NSC177001, (2S)-4-amino-N-{(1R,2S,3S,4R,5S)-5-amino-2-[(3-amino-3-deoxy-alpha-D-glucopyranosyl)oxy]-4-[(6-amino-6-deoxy-alpha-D-glucopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanamide, BB-K 8, Amikacin disulfate, NCGC00093350-02, Amikacine (INN-French), Amikacinum (INN-Latin), Amikacina (INN-Spanish), AMIKACIN (MART.), AMIKACIN [MART.], AMIKACIN (USP-RS), AMIKACIN [USP-RS], Amikacin (USP:INN:BAN), (S)-4-amino-N-((1R,2S,3S,4R,5S)-5-amino-2-(((2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4-(((2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-3-hydroxycyclohexyl)-2-hydroxybutanamide, AMK, O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1->4)-O-(6-amino-6-deoxy-alpha-D-glucopyranosyl-(1->6))-N(3)-(4-amino-L-2-hydroxybutyryl)-2-deoxy-L-streptamine, AMIKACIN (EP MONOGRAPH), AMIKACIN [EP MONOGRAPH], AMIKACIN (USP MONOGRAPH), AMIKACIN [USP MONOGRAPH], (2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-{[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-{[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-3-hydroxycyclohexyl]-2-hydroxybutanamide, Amikacin (USP/INN), MFCD00883675, SR-01000722004, Amikacin anhydrous, Amikacin & Tumor Necrosis Factor, NCGC00093350-05, Amikacin,(S), (2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-3-hydroxy-cyclohexyl]-2-hydroxy-butanamide, (2S)-N-[(1R,2S,3S,4R,5S)-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-azanyl-2-[(2S,3R,4S,5S ,6R)-4-azanyl-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]-4-azanyl-2-oxidanyl-butanamide, AKN, Amikacin, 6-O-(3-Amino-3-deoxy-?-d-glucopyranosyl)-4-O-(6-amino-6-deoxy-?-d-glucopyranosyl)-1-N-[(2S)-4-amino-2-hydroxybutanoyl]-2-deoxy-d-streptamine, Amikacin, 6-O-(3-Amino-3-deoxy-a-d-glucopyranosyl)-4-O-(6-amino-6-deoxy-a-d-glucopyranosyl)-1-N-[(2S)-4-amino-2-hydroxybutanoyl]-2-deoxy-d-streptamine, Amikacinum (Latin), Amikin (Disulfate), Amikacin (Standard), AT03 - Amikacin, BAY41-6551, Amikacin (free base), nktr-061, AMIKACIN [HSDB], AMIKACIN [INN], AMIKACIN [JAN], AMIKACIN [MI], AMIKACIN [VANDF], Prestwick3_000395, AMIKACIN [WHO-DD], AMIKACIN [WHO-IP], CHEMBL177, SCHEMBL2985, CAS-37517-28-5, BSPBio_000609, D-Streptamine, O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1-6)-O-(6-amino-6-deoxy-alpha-D-glucopyranosyl-(1-4))-N1-(4-amino-2-hydroxy-1-oxobutyl)-2-deoxy-, (S)-, BPBio1_000671, HY-B0509AR, TD1 - Therapeutic Drug mixture, GTPL10894, HY-B0509A, D06AX12, J01GB06, S01AA21, AMIKACINUM [WHO-IP LATIN], Tox21_111201, BDBM50237603, MFCD11045969, STK039706, AKOS005383276, Tox21_111201_1, AA29724, DB00479, NCGC00093350-03, (2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-(3-amino-3-deoxy-alpha-D-glucopyranosyloxy)-4-(6-amino-6-deoxy-alpha-D-glucopyranosyloxy)-3-hydroxycyclohexyl]-2-hydroxybutanamide, AS-76985, D-Streptamine, O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1->6)-O-(6-amino-6-deoxy-alpha-D-glucopyranosyl-(1->4))-N(sup 1)-(4-amino-2-hydroxy-1-oxobutyl)-2-deoxy-, (S)-, D-Streptamine, O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1-6)-O-(6-amino-6-deoxy-alpha-D-glucopyranosyl-(1-4))-N(sup 1)-(4-amino-2-hydroxy-1-oxobutyl)-2-deoxy-, (S)-, O-3-Amino-3-deoxy-.alpha.-D-glucopyranosyl-(1->6)-O-[6-amino-6-deoxy-.alpha.-D-glucopyranosyl-(1->4)]-1-(4-amino-2-hydroxy-1-oxobutyl)-2-deoxy-D-streptamine, AB00513828, NS00006181, C06820, D02543, AB00513828_06, EN300-7481440, Q408529, SR-01000722004-6, BRD-K88043978-315-02-8, (2S)-N-[(1R,2S,3S,4R,5S)-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-azanyl-2-[(2S,3R,4S,5S, (S)-4-amino-N-((1R,2S,3S,4R,5S)-5-amino-2-((2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)-4-((2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yloxy)-3-hydroxycyclohexyl)-2-hydroxybutanamide, ,6R)-4-azanyl-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]-4-azanyl-2-oxidanyl-butanamide, 253-538-5, D-STREPTAMINE, O-3-AMINO-3-DEOXY-.ALPHA.-D-GLUCOPYRANOSYL-(1->6)-O-(6-AMINO-6-DEOXY-.ALPHA.-D-GLUCOPYRANOSYL-(1->4))-N(SUP 1)-(4-AMINO-2-HYDROXY-1-OXOBUTYL)-2-DEOXY-, (S)-, D-Streptamine, O-3-amino-3-deoxy-.alpha.-D-glucopyranosyl-(1->6)-O-[6-amino-6-deoxy-.alpha.-D-glucopyranosyl-(1->4)]-N1-[(2S)-4-amino-2-hydroxy-1-oxobutyl]-2-deoxy-, D-Streptamine, O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1.fwdarw.6)-O-(6-amino-6-deoxy-alpha-D-glucopyranosyl-(1.fwdarw.4))-N1-((2S)-4-amino-2-hydroxy-1-oxobutyl)-2-deoxy-, O-3-AMINO-3-DEOXY-.ALPHA.-D-GLUCOPYRANOSYL-(1->4)-O-(6-AMINO-6-DEOXY-.ALPHA.-D-GLUCOPYRANOSYL-(1->6))-N(SUP 3)-(4-AMINO-L-2-HYDROXYBUTYRYL)-2-DEOXY-L-STREPTAMINE, O-3-AMINO-3-DEOXY-alpha-D-GLUCOPYRANOSYL-(1->4)-O-(6-AMINO-6-DEOXY-alpha-D-GLUCOPYRANOSYL-(1->6))-N(SUP 3)-(4-AMINO-L-2-HYDROXYBUTYRYL)-2-DEOXY-L-STREPTAMINE
Topological Polar Surface Area 332.0
Hydrogen Bond Donor Count 13.0
Heavy Atom Count 40.0
Isotope Atom Count 0.0
Molecular Complexity 819.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 16.0
Uniprot Id O14746, n.a., Q9HWR2, P02545, Q92830, O15648, P25094, P0A9A6, O95342, Q92887, O15438, O15439, I6X8D2
Iupac Name (2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide
Prediction Hob 0.0
Target Id NPT483
Xlogp -7.9
Molecular Formula C22H43N5O13
Prediction Swissadme 0.0
Inchi Key LKCWBDHBTVXHDL-RMDFUYIESA-N
Fcsp3 0.9545454545454546
Logs -0.058
Rotatable Bond Count 10.0
Logd -3.745
Compound Name Amikacin
Prediction Hob Swissadme 0.0
Exact Mass 585.286
Formal Charge 0.0
Monoisotopic Mass 585.286
Hydrogen Bond Acceptor Count 17.0
Molecular Weight 585.6
Covalent Unit Count 1.0
Total Atom Stereocenter Count 16.0
Total Bond Stereocenter Count 0.0
Esol 1.9520303999999973
Inchi InChI=1S/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/t6-,7+,8-,9+,10+,11-,12+,13+,14+,15-,16+,17-,18+,19-,21+,22+/m0/s1
Smiles C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)[C@H](CCN)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)O)N
Nring 3.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Liquidambar Formosana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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