Molecule structure of Cefmenoxime hydrochloride (CAS NO.75738-58-8) :
IUPAC Name: (6R,7R)-7-[[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid hydrochloride
Molecular Weight: 1059.5779 g/mol
Molecular Formula: C32H35ClN18O10S6
H-Bond Donor: 7
H-Bond Acceptor: 22
Rotatable Bond Count: 16
Tautomer Count: 10
Exact Mass: 1058.079631
MonoIsotopic Mass: 1058.079631
Topological Polar Surface Area: 382
Heavy Atom Count: 67
Complexity: 890
Defined Atom StereoCenter Count: 4
Defined Bond StereoCenter Count: 2
Covalently-Bonded Unit Count: 3
Canonical SMILES: CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)O.CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)O.Cl
Isomeric SMILES: CN1N=NN=C1SCC2=C(N3C(=O)[C@H]([C@H]3SC2)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)C(=O)O.CN1N=NN=C1SCC2=C(N3C(=O)[C@H]([C@H]3SC2)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)C(=O)O.Cl
InChI: InChI=1S/2C16H17N9O5S3.ClH/c2*1-24-16(20-22-23-24)33-4-6-3-31-13-9(12(27)25(13)10(6)14(28)29)19-11(26)8(21-30-2)7-5-32-15(17)18-7;/h2*5,9,13H,3-4H2,1-2H3,(H2,17,18)(H,19,26)(H,28,29);1H/b2*21-8-;/t2*9-,13-;/m11./s1
InChIKey: MPTNDTIREFCQLK-UNVJPQNDSA-N
EINECS of Cefmenoxime Hydrochloride (CAS NO.75738-58-8) : 278-299-4
mouse | LD50 | intravenous | 7830mg/kg (7830mg/kg) | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 22, Pg. 1605, 1980. | |
mouse | LD50 | oral | 17540mg/kg (17540mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 14, Pg. 297, 1983. | |
mouse | LD50 | subcutaneous | 11830mg/kg (11830mg/kg) | Japanese Journal of Antibiotics. Vol. 35, Pg. 2615, 1982. | |
rat | LD50 | intravenous | 2680mg/kg (2680mg/kg) | Japanese Journal of Antibiotics. Vol. 35, Pg. 2615, 1982. | |
rat | LD50 | oral | > 20gm/kg (20000mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 14, Pg. 297, 1983. | |
rat | LD50 | subcutaneous | 13150mg/kg (13150mg/kg) | Japanese Journal of Antibiotics. Vol. 35, Pg. 2615, 1982. |
Cefmenoxime hydrochloride (CAS NO.75738-58-8) is also called (6R,7R)-7-(2-(2-Amino-4-thiazolyl)glyoxylamido)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene- ; 2-carboxylic acid 7(sup 2)-(Z)-(O-methyloxime), hydrochloride (2:1) ; 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, hydrochloride (2:1), (6R-(6alpha,7beta(Z)))- ; AB 50912 hemihydrochloride ; Abbott 50192 (HCl) ; Cefmax ; Cefmenoxime HCl ; Cefmenoxime hemihydrochloride ; SCE 1365 hydrochloride ; Tacef ; UNII-NON736D32W .
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