AG008ERV

86329-79-5 | Cefodizime Disodium

AG008ERV

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CAS Number	86329-79-5
Catalog Number	AG008ERV(AGN-PC-0V45LP)
Chemical Name	Cefodizime Disodium
EC Number	617-833-6
IUPAC Name	disodium;(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[[5-(carboxylatomethyl)-4-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
InChI	InChI=1S/C20H20N6O7S4.2Na/c1-7-10(3-11(27)28)37-20(22-7)36-5-8-4-34-17-13(16(30)26(17)14(8)18(31)32)24-15(29)12(25-33-2)9-6-35-19(21)23-9;;/h6,13,17H,3-5H2,1-2H3,(H2,21,23)(H,24,29)(H,27,28)(H,31,32);;/q;2*+1/p-2/b25-12-;;/t13-,17-;;/m1../s1
InChI Key	WBOBLQIRACJNPA-AEKYOGSZSA-L
MDL Number	MFCD00897059
Molecular Formula	C20H18N6Na2O7S4
Molecular Weight	628.6325
SMILES	O=C(C(N12)=C(CSC3=NC(C)=C(CC([O-])=O)S3)CS[C@]2([H])[C@H](NC(/C(C4=CSC(N)=N4)=NOC)=O)C1=O)[O-].[Na+].[Na+]
UNII	HC1T51593A
Synonyms	cefodizime, cefodizime disodium, cefodizime, dipotassium salt, (6R-(6alpha,7beta(Z)))-isomer, cefodizime, disodium salt, (6R-(6alpha,7beta(Z)))-isomer, HR 221, HR-221, Modivid, cefodizime sodium, 86329-79-5, CEFODIZIME DISODIUM, UNII-HC1T51593A, HC1T51593A, Cefodizime disodium salt, Cefodizime Sodium [JAN], Neucef (TN), THR-221, Kenicef (TN), PubChem13659, NCGC00167581-01, Cefodizime sodium (JP17), DSSTox_CID_26730, DSSTox_RID_81860, DSSTox_GSID_46730, SCHEMBL1649045, CHEMBL3189077, DTXSID9046730, CHEBI:31372, Tox21_112573, MFCD00897059, AKOS025311226, CAS-86329-79-5, 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-3-(((5-(carboxymethyl)-4-methyl-2-thiazolyl)thio)methyl)-8-oxo-, disodium salt, (6R-(6-alpha,7-beta(Z)))-, 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2Z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-3-(((5-(carboxymethyl)-4-methyl-2-thiazolyl)thio)methyl)-8-oxo-, disodium salt, (6R,7R)-, D01863, sodium (6R,7R)-7-((Z)-2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-3-(((5-(carboxylatomethyl)-4-methylthiazol-2-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carb, CDZM, OXYLATE, 4-Demethoxydoxorubicinone, D0O4QR, C20H18N6O7S4.2Na, HR 221, CID9852176, C20-H18-N6-O7-S4.2Na, S 77 1221 B,

Complexity	1020
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	1
Exact Mass	627.992g/mol
Formal Charge	0
Heavy Atom Count	39
Hydrogen Bond Acceptor Count	15
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	628.619g/mol
Monoisotopic Mass	627.992g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	310A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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