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Details

Stereochemistry ABSOLUTE
Molecular Formula C32H32N6O9S2
Molecular Weight 708.761
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CEFADROXIL DIMER

SMILES

[H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)[C@H](NC(=O)C3=C(C)CS[C@]4([H])[C@H](NC(=O)[C@H](N)C5=CC=C(O)C=C5)C(=O)N34)C6=CC=C(O)C=C6)C(O)=O

InChI

InChIKey=AIYDVGWJZWMCJI-IYVVPMMESA-N
InChI=1S/C32H32N6O9S2/c1-13-11-48-30-21(35-25(41)19(33)15-3-7-17(39)8-4-15)28(44)37(30)23(13)27(43)34-20(16-5-9-18(40)10-6-16)26(42)36-22-29(45)38-24(32(46)47)14(2)12-49-31(22)38/h3-10,19-22,30-31,39-40H,11-12,33H2,1-2H3,(H,34,43)(H,35,41)(H,36,42)(H,46,47)/t19-,20-,21-,22-,30-,31-/m1/s1

HIDE SMILES / InChI

Molecular Formula C32H32N6O9S2
Molecular Weight 708.761
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:51:28 UTC 2023
Edited
by admin
on Sat Dec 16 18:51:28 UTC 2023
Record UNII
60N49WZE6L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CEFADROXIL DIMER
Common Name English
(6R,7R)-7-((R)-2-((6R,7R)-7-((R)-2-AMINO-2-(4-HYDROXYPHENYL)ACETAMIDO)-3-METHYL-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXAMIDO)-2-(4-HYDROXYPHENYL)ACETAMIDO)-3-METHYL-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID
Systematic Name English
CEFADROXIL DIMER [USP IMPURITY]
Common Name English
5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-(((2R)-2-((((6R,7R)-7-(((2R)-2-AMINO-2-(4-HYDROXYPHENYL)ACETYL)AMINO)-3-METHYL-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-EN-2-YL)CARBONYL)AMINO)-2-(4-HYDROXYPHENYL)ACETYL)AMINO)-3-METHYL-8-OXO-, (6R,7R
Systematic Name English
Code System Code Type Description
PUBCHEM
146048034
Created by admin on Sat Dec 16 18:51:29 UTC 2023 , Edited by admin on Sat Dec 16 18:51:29 UTC 2023
PRIMARY
FDA UNII
60N49WZE6L
Created by admin on Sat Dec 16 18:51:29 UTC 2023 , Edited by admin on Sat Dec 16 18:51:29 UTC 2023
PRIMARY
CAS
2378158-45-1
Created by admin on Sat Dec 16 18:51:29 UTC 2023 , Edited by admin on Sat Dec 16 18:51:29 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP