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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H29N5O8S
Molecular Weight 535.57
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2S,5R,6R)-6-((2R)-2-(((2-(ETHYL(OXALO)AMINO)ETHYL)CARBAMOYL)AMINO)-2-PHENYLACETAMIDO)-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID

SMILES

[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](NC(=O)NCCN(CC)C(=O)C(O)=O)C3=CC=CC=C3)C(O)=O

InChI

InChIKey=YXRSTHOXBOCROS-BKEDOTJMSA-N
InChI=1S/C23H29N5O8S/c1-4-27(18(31)21(34)35)11-10-24-22(36)26-13(12-8-6-5-7-9-12)16(29)25-14-17(30)28-15(20(32)33)23(2,3)37-19(14)28/h5-9,13-15,19H,4,10-11H2,1-3H3,(H,25,29)(H,32,33)(H,34,35)(H2,24,26,36)/t13-,14-,15+,19-/m1/s1

HIDE SMILES / InChI

Molecular Formula C23H29N5O8S
Molecular Weight 535.57
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:12:00 UTC 2023
Edited
by admin
on Sat Dec 16 19:12:00 UTC 2023
Record UNII
WAR49C2MNX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2S,5R,6R)-6-((2R)-2-(((2-(ETHYL(OXALO)AMINO)ETHYL)CARBAMOYL)AMINO)-2-PHENYLACETAMIDO)-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID
Systematic Name English
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 6-((((((2-((CARBOXYCARBONYL)ETHYLAMINO)ETHYL)AMINO)CARBONYL)AMINO)PHENYLACETYL)AMINO)-3,3-DIMETHYL-7-OXO-, (2S-(2.ALPHA.,5.ALPHA.,6.BETA.(S*)))-
Systematic Name English
PIPERACILLIN SODIUM IMPURITY M [EP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
WAR49C2MNX
Created by admin on Sat Dec 16 19:12:01 UTC 2023 , Edited by admin on Sat Dec 16 19:12:01 UTC 2023
PRIMARY
PUBCHEM
139025569
Created by admin on Sat Dec 16 19:12:01 UTC 2023 , Edited by admin on Sat Dec 16 19:12:01 UTC 2023
PRIMARY
CAS
64844-70-8
Created by admin on Sat Dec 16 19:12:01 UTC 2023 , Edited by admin on Sat Dec 16 19:12:01 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP