CEFIDEROCOL CATECHOL 3-METHOXY

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H36ClN7O10S2
Molecular Weight	766.241
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 3
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of CEFIDEROCOL CATECHOL 3-METHOXY

Structure Search

SMILES

COC1=C(O)C=CC(C(=O)NCC[N+]5(CC2=C(N3[C@H](SC2)[C@H](NC(=O)C(=N/OC(C)(C)C(O)=O)\C4=CSC(N)=N4)C3=O)C([O-])=O)CCCC5)=C1Cl

InChI

InChIKey=UCHYYVODFWKSCG-GNCUCHJPSA-N

InChI=1S/C31H36ClN7O10S2/c1-31(2,29(46)47)49-37-20(17-14-51-30(33)35-17)25(42)36-21-26(43)38-22(28(44)45)15(13-50-27(21)38)12-39(9-4-5-10-39)11-8-34-24(41)16-6-7-18(40)23(48-3)19(16)32/h6-7,14,21,27H,4-5,8-13H2,1-3H3,(H6-,33,34,35,36,40,41,42,44,45,46,47)/b37-20-/t21-,27-/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

CEFIDEROCOL METABOLITE M12

Preferred Name

English

CEFIDEROCOL CATECHOL 3-METHOXY

Common Name

English

PYRROLIDINIUM, 1-(((6R,7R)-7-((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-4-HYDROXY-3-METHOXYBENZOYL)AMINO)ETHYL)-, INNER SALT

Systematic Name

English

Code System Code Type Description

CAS

2243393-93-1

Created by admin on Wed Apr 02 05:49:02 GMT 2025 , Edited by admin on Wed Apr 02 05:49:02 GMT 2025

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FDA UNII

U0PVN6Y2NU

Created by admin on Wed Apr 02 05:49:02 GMT 2025 , Edited by admin on Wed Apr 02 05:49:02 GMT 2025

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