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86329-79-5

Basic Information
CAS No.: 86329-79-5
Name: Cefodizime disodium
Molecular Structure:
Molecular Structure of 86329-79-5 (Cefodizime disodium)
Formula: C20H18N6Na2O7S4
Molecular Weight: 628.64
Synonyms: 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[[(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-3-[[[5-(carboxymethyl)-4-methyl-2-thiazolyl]thio]methyl]-8-oxo-,disodium salt, [6R-[6a,7b(Z)]]-;5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[[(2Z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-3-[[[5-(carboxymethyl)-4-methyl-2-thiazolyl]thio]methyl]-8-oxo-,disodium salt, (6R,7R)- (9CI);
EINECS:
Density:
Melting Point:
Boiling Point:
Flash Point:
Solubility:
Appearance: White to yellow crystalline powder
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA: 310.14000
LogP: -0.76070
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Chemistry

IUPAC Name: Disodium (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[[4-methyl-5-(2-oxido-2-oxoethyl)-1,3-thiazol-2-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Synonyms of Cefodizime disodium (CAS NO.86329-79-5): Cefodizime disodium ; Kenicef; 7-(((2-Amino-4-thiazolyl)(methoxyimino)acetyl)amino)-3-(((5-(carboxymethyl)-4-methyl-2-thiazolyl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid disodium salt
CAS NO: 86329-79-5
Molecular Formula: C20H18N6Na2O7S4
Molecular Weight: 628.64
Molecular Structure:
 

H bond acceptors: 13
H bond donors: 5
Freely Rotating Bonds: 10
Polar Surface Area: 272.91 Å2 
SMILES: [Na+].[Na+].O=C2N1/C(=C(\CS[C@@H]1[C@@H]2NC(=O)C(=N\OC)/c3nc(sc3)N)CSc4nc(c(s4)CC([O-])=O)C)C([O-])=O
InChI: InChI=1/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 
InChIKey: WBOBLQIRACJNPA-YMANYYKOBU
Std. 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
Std. InChIKey: WBOBLQIRACJNPA-AEKYOGSZSA-L

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous > 5gm/kg (5000mg/kg)   Drugs in Japan Vol. -, Pg. 667, 1995.
mouse LD50 intraperitoneal 10500mg/kg (10500mg/kg) BRAIN AND COVERINGS: "CHANGES IN CIRCULATION (HEMORRHAGE, THROMBOSIS, ETC.)"

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Journal of Toxicological Sciences. Vol. 13(Suppl,
mouse LD50 intravenous 5gm/kg (5000mg/kg) BRAIN AND COVERINGS: "CHANGES IN CIRCULATION (HEMORRHAGE, THROMBOSIS, ETC.)"

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Journal of Toxicological Sciences. Vol. 13(Suppl,
mouse LD50 oral 28gm/kg (28000mg/kg) BRAIN AND COVERINGS: "CHANGES IN CIRCULATION (HEMORRHAGE, THROMBOSIS, ETC.)"

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
Journal of Toxicological Sciences. Vol. 13(Suppl,
mouse LD50 subcutaneous 16500mg/kg (16500mg/kg) BRAIN AND COVERINGS: "CHANGES IN CIRCULATION (HEMORRHAGE, THROMBOSIS, ETC.)"

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Journal of Toxicological Sciences. Vol. 13(Suppl,
rat LD50 intraperitoneal 8800mg/kg (8800mg/kg) BRAIN AND COVERINGS: "CHANGES IN CIRCULATION (HEMORRHAGE, THROMBOSIS, ETC.)"

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Journal of Toxicological Sciences. Vol. 13(Suppl,
rat LD50 intravenous 7gm/kg (7000mg/kg) BRAIN AND COVERINGS: "CHANGES IN CIRCULATION (HEMORRHAGE, THROMBOSIS, ETC.)"

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Journal of Toxicological Sciences. Vol. 13(Suppl,
rat LD50 subcutaneous 15500mg/kg (15500mg/kg) BRAIN AND COVERINGS: "CHANGES IN CIRCULATION (HEMORRHAGE, THROMBOSIS, ETC.)"

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Journal of Toxicological Sciences. Vol. 13(Suppl,
rat LDLo oral 20gm/kg (20000mg/kg) BRAIN AND COVERINGS: "CHANGES IN CIRCULATION (HEMORRHAGE, THROMBOSIS, ETC.)"

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
Journal of Toxicological Sciences. Vol. 13(Suppl,

Safety Profile

Low toxicity by ingestion, intraperitoneal, subcutaneous, and intravenous routes. When heated to decomposition it emits toxic vapors of NOx and SOx.