Cefotiam
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Product Description
Product
Cefotiam
CAS
61622-34-2
Formula
C18H23N9O4S3
Synonym
CEFOTIAM; CEFOTIAM HCL; cgp14221e; (6r-trans)--oxo; )acetyl)amino)-3-(((1-(2-(dimethylamino)ethyl)-1h-tetrazol-5-yl)thio)methyl)-8; 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2-amino-4-thiazolyl)acetyl]amino]-3-[[[1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl]thio]methyl]-8-oxo-, (6R,7R)-; 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2-amino-4-thiazolyl)acetyl]amino]-3-[[[1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl]thio]methyl]-8-oxo-, (6R-trans)-; 8-[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino-4-[[1-(2-dimethylaminoethyl)tetrazol-5-yl]sulfanylmethyl]-7-oxo-2-thia-6-azabicyclo[4.2.0]oct-4-ene-5-carboxylic acid
Typical Product Specifications
Molecular weight
525.63
SMILES
CN(C)CCn1nnnc1SCC2=C(N3[C@H](SC2)[C@H](NC(=O)Cc4csc(N)n4)C3=O)C(=O)O
InChI
QYQDKDWGWDOFFU-IUODEOHRSA-N
InChIKey
1S/C18H23N9O4S3/c1-25(2)3-4-26-18(22-23-24-26)34-7-9-6-32-15-12(14(29)27(15)13(9)16(30)31)21-11(28)5-10-8-33-17(19)20-10/h8,12,15H,3-7H2,1-2H3,(H2,19,20)(H,21,28)(H,30,31)/t12-,15-/m1/s1
Flash Point
>110°(230°F)
Boiling Point
843?
Water solubility
Soluble
RTECS
XI0366000
Atmospheric OH Rate Constant
2.09E-10 cm3/molecule-sec
log P (octanol-water)
-1.400
Class
Cefotiam
Product Description
Product
Cefotiam
CAS
61622-34-2
Formula
C18H23N9O4S3
Synonym
CEFOTIAM; CEFOTIAM HCL; cgp14221e; (6r-trans)--oxo; )acetyl)amino)-3-(((1-(2-(dimethylamino)ethyl)-1h-tetrazol-5-yl)thio)methyl)-8; 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2-amino-4-thiazolyl)acetyl]amino]-3-[[[1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl]thio]methyl]-8-oxo-, (6R,7R)-; 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2-amino-4-thiazolyl)acetyl]amino]-3-[[[1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl]thio]methyl]-8-oxo-, (6R-trans)-; 8-[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino-4-[[1-(2-dimethylaminoethyl)tetrazol-5-yl]sulfanylmethyl]-7-oxo-2-thia-6-azabicyclo[4.2.0]oct-4-ene-5-carboxylic acid
Typical Product Specifications
Molecular weight
525.63
SMILES
CN(C)CCn1nnnc1SCC2=C(N3[C@H](SC2)[C@H](NC(=O)Cc4csc(N)n4)C3=O)C(=O)O
InChI
QYQDKDWGWDOFFU-IUODEOHRSA-N
InChIKey
1S/C18H23N9O4S3/c1-25(2)3-4-26-18(22-23-24-26)34-7-9-6-32-15-12(14(29)27(15)13(9)16(30)31)21-11(28)5-10-8-33-17(19)20-10/h8,12,15H,3-7H2,1-2H3,(H2,19,20)(H,21,28)(H,30,31)/t12-,15-/m1/s1
Flash Point
>110°(230°F)
Boiling Point
843?
Water solubility
Soluble
RTECS
XI0366000
Atmospheric OH Rate Constant
2.09E-10 cm3/molecule-sec
log P (octanol-water)
-1.400
Class
