(6R,7S)-7-({N-[(4-Ethyl-2,3-dioxo-1-piperazinyl)carbonyl]-D-threonyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | CAS No. 76610-84-9

Basic Information

CAS Number

76610-84-9

Molecular Formula

C22H29N9O9S2

Molecular Weight

342.25 g/mol

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Basic Physical Properties

Melting Point

118-120° (dec)

Density

1.77

Refractive Index

1.778

SMILES

CCN1CCN(C(=O)C1=O)C(=O)NC(C(C)O)C(=O)NC2(C3N(C2=O)C(=C(CS3)CSC4=NN=NN4C)C(=O)O)OC

InChI

InChI=1S/C22H29N9O9S2/c1-5-29-6-7-30(16(35)15(29)34)20(39)23-12(10(2)32)14(33)24-22(40-4)18(38)31-13(17(36)37)11(8-41-19(22)31)9-42-21-25-26-27-28(21)3/h10,12,19,32H,5-9H2,1-4H3,(H,23,39)(H,24,33)(H,36,37)/t10-,12+,19+,22-/m0/s1

InChIKey

SMSRCGPDNDCXFR-CYWZMYCQSA-N

LogP

-5.155399999999997

Topological Polar Surface Area

256.25000000000006 Å²

Hydrogen Bond Donor/Acceptor

13 / 13

Complexity

1210

Classification & Uses

Chemical Classification

Pharmaceutical Products APIs & Intermediates Intermediates

Safety Information

Synonyms & References

English

T-1982
(7S)-7-({N-[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]-D-threonyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,4-didehydrocepham-4-carboxylic acid
UNII-T0785J3X40
AC-8179
NS00011572
5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-((2-(((4-ETHYL-2,3-DIOXO-1-PIPERAZINYL)CARBONYL)AMINO)-3-HYDROXY-1-OXOBUTYL)AMINO)-7-METHOXY-3-(((1-METHYL-1H-TETRAZOL-5-YL)THIO)METHYL)-8-OXO-, (6R-(6.ALPHA.,7.ALPHA.,7(2R*,3S*)))-
Cefbuperazonum [Latin]
CEFBUPERAZONE [MART.]
Cerbuperazone
CEFBUPERAZONE
CEFBUPERAZONE [MI]
(6R,7S)-7-((2R,3S)-2-(4-Ethyl-2,3-dioxo-1-piperazinecarboxamido)-3-hydroxybutyramido)-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
CHEBI:135856
AKOS015900594
T0785J3X40
76610-84-9
2,4-bis[(diaminomethylidene)amino]-3,5,6-trihydroxycyclohexyl dihydrogen phosphate
CBPZ
CEFBUPERAZONE [USAN]
GTPL12253
5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((2-(((4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl)amino)-3-hydroxy-1-oxobutyl)amino)-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, (6R-(6alpha,7alpha,7(2R*,3S*)))-
Cefbuperazone [USAN:INN]
Q5057221
(6R,7S)-7-({N-[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]-D-threonyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
(6R,7S)-7-[[(2R,3S)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-3-hydroxybutanoyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CEFBUPERAZONE [INN]
DB13638
D03423
CHEMBL1908372
BMY 25182
(6R,7S)-7-[(2R,3S)-2-(4-Ethyl-2,3-dioxo-1-piperazinecarboxamido)-3-hydroxybutyramido]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
DTXSID701024595
BMY-25182
(7S)-7-((2R,3S)-2-(4-ethyl-2,3-dioxopiperazine-1-carboxamido)-3-hydroxybutanamido)-7-methoxy-3-((1-methyl-1H-tetrazol-5-ylthio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Cerbuperazone [French]
Cefbuperazona
Cefbuperazona [Spanish]
Cefbuperazone (USAN/INN)
CEFBUPERAZONE [WHO-DD]
NCGC00507774-01
Cefbuperzaone
BCP16025
Cefbuperazonum
SCHEMBL49833
Cefbuperazone
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R,3S)-2-[[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]-3-hydroxy-1-oxobutyl]amino]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl
(6R,7S)-7-((2R,3S)-2-(4-Ethyl-2,3-dioxo-1-piperazinecarboxamido)-3-hydroxybutyramido)-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylicacid,7-((2-(((4-ethyl-2,3-dio
Keiperazon
Tomiporan
xo-1-piperazinyl)carbonyl)amino)-3-hydroxy-1-oxobutyl)amino)-7-methoxy-3-(((1

MDL_Number

MFCD00864869

CAS Number

76610-84-9

Supplier Information

Supplier Name	Member Level	Authentication Status	Main Category	MOQ	Action
China - Hubei Yangxin Pharmaceutical Technology Co., Ltd.
China - Shanghai Kewei Chemical Technology Co., Ltd.
China - Shanghai Hansi Chemical Co., Ltd.
China - Wuhan HuJiu Medicine Technology Co., Ltd.
China - Inter-Chemical Ltd.
Germany - Wissenschaftliche Geräteentwicklung Dr. Bures GmbH & Co KG
China - Henan Yifei Filter Machinery Co., Ltd.
Germany - Nitto Kohki Deutschland GmbH