CEFIDEROCOL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H34ClN7O10S2
Molecular Weight	752.215
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)(O\N=C(/C(=O)N[C@H]1[C@H]2SCC(C[N+]4(CCNC(=O)C3=C(Cl)C(O)=C(O)C=C3)CCCC4)=C(N2C1=O)C([O-])=O)C5=CSC(N)=N5)C(O)=O

InChI

InChIKey=DBPPRLRVDVJOCL-FQRUVTKNSA-N

InChI=1S/C30H34ClN7O10S2/c1-30(2,28(46)47)48-36-19(16-13-50-29(32)34-16)24(42)35-20-25(43)37-21(27(44)45)14(12-49-26(20)37)11-38(8-3-4-9-38)10-7-33-23(41)15-5-6-17(39)22(40)18(15)31/h5-6,13,20,26H,3-4,7-12H2,1-2H3,(H7-,32,33,34,35,36,39,40,41,42,44,45,46,47)/t20-,26-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C30H34ClN7O10S2
Molecular Weight	752.215
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry
Defined Stereocenters	2 / 2
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Oct 21 22:48:49 UTC 2019` Edited by `admin` on `Mon Oct 21 22:48:49 UTC 2019`
Record UNII	SZ34OMG6E8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CEFIDEROCOL

Official Name

English

(6R,7R)-7-((2Z)-2-(2-AMINO-1,3-THIAZOL-4-YL)-2-(((2-CARBOXYPROPAN-2-YL)OXY)IMINO)ACETAMIDO)-3-((1-(2-(2-CHLORO-3,4-DIHYDROXYBENZAMIDO)ETHYL)PYRROLIDIN-1-IUM-1-YL)METHYL)-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLATE

Systematic Name

English

CEFIDEROCOL [WHO-DD]

Common Name

English

S-649266

Code

English

PYRROLIDINIUM, 1-(((6R,7R)-7-(((2Z)-2-(2-AMINO-4-THIAZOLYL)-2-((1-CARBOXY-1-METHYLETHOXY)IMINO)ACETYL)AMINO)-2-CARBOXY-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-EN-3-YL)METHYL)-1-(2-((2-CHLORO-3,4-DIHYDROXYBENZOYL)AMINO)ETHYL)-, INNER SALT

Systematic Name

English

GSK2696266

Code

English

CEFIDEROCOL [USAN]

Common Name

English

CEFIDEROCOL [INN]

Common Name

English

Code System Code Type Description