U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C30H36N6O8S3
Molecular Weight 704.837
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of CEFDITOREN PIVALOYL

SMILES

[H][C@]12SCC(\C=C/C3=C(C)N=CS3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C4=CSC(NC(=O)C(C)(C)C)=N4)C(=O)OCOC(=O)C(C)(C)C

InChI

InChIKey=AOJSDVLILWNASE-XNVXDSCASA-N
InChI=1S/C30H36N6O8S3/c1-15-18(47-13-31-15)10-9-16-11-45-24-20(23(38)36(24)21(16)25(39)43-14-44-27(41)30(5,6)7)33-22(37)19(35-42-8)17-12-46-28(32-17)34-26(40)29(2,3)4/h9-10,12-13,20,24H,11,14H2,1-8H3,(H,33,37)(H,32,34,40)/b10-9-,35-19-/t20-,24-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
CEFDITOREN PIVALOYL
Common Name English
(2,2-DIMETHYL-1-OXOPROPOXY)METHYL (6R,7R)-7-(((2Z)-2-(2-((2,2-DIMETHYL-1-OXOPROPYL)AMINO)-4-THIAZOLYL)-2-(METHOXYIMINO)ACETYL)AMINO)-3-((1Z)-2-(4-METHYL-5-THIAZOLYL)ETHENYL)-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLATE
Common Name English
N-PIVALY-CEFDITOREN PIVOXIL
Common Name English
5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-(((2Z)-2-(2-((2,2-DIMETHYL-1-OXOPROPYL)AMINO)-4-THIAZOLYL)-2-(METHOXYIMINO)ACETYL)AMINO)-3-((1Z)-2-(4-METHYL-5-THIAZOLYL)ETHENYL)-8-OXO-, (2,2-DIMETHYL-1-OXOPROPOXY)METHYL ESTER, (6R,7R)-
Systematic Name English
Code System Code Type Description
PUBCHEM
131668431
Created by admin on Sat Dec 16 18:37:57 UTC 2023 , Edited by admin on Sat Dec 16 18:37:57 UTC 2023
PRIMARY
FDA UNII
TL6NU7H3G8
Created by admin on Sat Dec 16 18:37:57 UTC 2023 , Edited by admin on Sat Dec 16 18:37:57 UTC 2023
PRIMARY
CAS
878002-84-7
Created by admin on Sat Dec 16 18:37:57 UTC 2023 , Edited by admin on Sat Dec 16 18:37:57 UTC 2023
PRIMARY