(6R,7R)-7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(hydroxyimino)acetyl]amino}-8-oxo-3-{[(1H-1,2,3-triazol-5-ylsulfanyl)methyl]sulfanyl}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrochlorid e hydrate

Basic Information

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CAS Number

154776-45-1

Molecular Formula

C15H17ClN8O6S4

Molecular Weight

569.07 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Boiling Point

°Cat760mmHg

SMILES

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C1C(=C(N2C(S1)C(C2=O)NC(=O)C(=NO)C3=CSC(=N3)N)C(=O)O)SCSC4=NNN=C4.O.Cl

InChI

InChI=1S/C15H14N8O5S4.ClH.H2O/c16-15-18-5(2-30-15)8(21-28)11(24)19-9-12(25)23-10(14(26)27)6(3-29-13(9)23)31-4-32-7-1-17-22-20-7;;/h1-2,9,13,28H,3-4H2,(H2,16,18)(H,19,24)(H,26,27)(H,17,20,22);1H;1H2/b21-8-;;/t9-,13-;;/m1../s1

InChIKey

LBWIJMWZWJRRMO-AWXOXGPMSA-N

LogP

-0.2021000000000001

Topological Polar Surface Area

231.27999999999997 Å²

Hydrogen Bond Donor/Acceptor

8 / 14

Complexity

860

Synonyms & References

English

UNII-PA4O9CKP1M
Cefmatilen hydrochloride hydrate [JAN]
(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-8-oxo-3-(2H-triazol-4-ylsulfanylmethylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrate;hydrochloride
Cefmatilen hydrochloride monohydrate
5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-(((2-AMINO-4-THIAZOLYL)(HYDROXYIMINO)ACETYL)AMINO)-8-OXO-3-(((1H-1,2,3-TRIAZOL-4-YLTHIO)METHYL)THIO)-, MONOHYDROCHLORIDE, MONOHYDRATE, (6R-(6.ALPHA.,7.BETA.(Z)))-
Cefmatilen hydrochloride hydrate
PA4O9CKP1M
(-)-Cefmatilen monohydrochloride monohydrate
Cefmatilen monohydrochloride monohydrate
Cefmatilen hydrochloride hydrate (JAN)
(6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyimino-acetyl]amino]- 8-oxo-3-(2H-triazol-4-ylsulfa
S-1090
5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(hydroxyimino)acetyl)amino)-8-oxo-3-(((1H-1,2,3-triazol-4-ylthio)methyl)thio)-, monohydrochloride, monohydrate, (6R-(6alpha,7beta(Z)))-
5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2Z)-(2-amino-4-thiazolyl)(hydroxyimino)acetyl)amino)-8-oxo-3-(((1H-1,2,3-triazol-4-ylthio)methyl)thio)-, monohydrochloride, monohydrate, (6R,7R)-
5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2Z)-2-(2-amino-4-thiazolyl)-2-(hydroxyimino)acetyl)amino)-8-oxo-3-(((1H-1,2,3-triazol-5-ylthio)methyl)thio)-, hydrochloride, hydrate (1:1:1), (6R,7R)-
D01961
154776-45-1
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(hydroxyimino)acetyl]amino]-8-oxo-3-[[(1H-1,2,3-triazol-5-ylthio)methyl]thio]-,hydrochloride, hydrate (1:1:1), (6R,7R)-
(6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(hydroxyimino)acetyl]amino}-8-oxo-3-{[(2H-1,2,3-triazol-4-ylsulfanyl)methyl]sulfanyl}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrochloride hydrate
(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-8-oxo-3-(2H-triazol-4-ylsulfanylmethylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,hydrate,hydrochloride
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(hydro...
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(hydroxyimino)acetyl]amino]-8-oxo-3-[
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(hydroxyimino)acetyl]amino]-8-oxo-3-[[(1H-1,2,3-triazol-5-ylthio)methyl]thio]-,hydrochloride, hydrate (1:1:1), (
CEFMATILEN HYDROCHLORIDE HYDRATE
(-)-(6R,7R)-7-[2-(2-Aminothiazol-4-yl)-2(Z)-(hydroxyimino)acetamido]-3-(1H-1,2,3-triazol-4-ylsulfanylmethylsulfanyl)-3-cephem-4-carboxylic acid monohydrochloride monohydrate
(6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyimino-acetyl]amino]- 8-oxo-3-(2H-triazol-4-ylsulfanylmethylsulfanyl)-5-thia-1-azabicyclo[4. 2.0]oct-2-ene-2-carboxylic acid hydrate hydrochloride