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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H20N2O4S
Molecular Weight 300.374
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2S,5R,6R)-6-((2,2-DIMETHYLPROPANOYL)AMINO)-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(C)(C)C)C(O)=O

InChI

InChIKey=PORWSLUULGTXGS-BKPPORCPSA-N
InChI=1S/C13H20N2O4S/c1-12(2,3)11(19)14-6-8(16)15-7(10(17)18)13(4,5)20-9(6)15/h6-7,9H,1-5H3,(H,14,19)(H,17,18)/t6-,7+,9-/m1/s1

HIDE SMILES / InChI

Molecular Formula C13H20N2O4S
Molecular Weight 300.374
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 17 20:07:03 UTC 2022
Edited
by admin
on Sat Dec 17 20:07:03 UTC 2022
Record UNII
6MM8IJ3O7L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2S,5R,6R)-6-((2,2-DIMETHYLPROPANOYL)AMINO)-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-((2,2-DIMETHYL-1-OXOPROPYL)AMINO)-3,3-DIMETHYL-7-OXO-, (2S,5R,6R)-
Common Name English
AMPICILLIN TRIHYDRATE IMPURITY J [EP IMPURITY]
Common Name English
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3,3-DIMETHYL-7-OXO-6-PIVALAMIDO-
Common Name English
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 6-((2,2-DIMETHYL-1-OXOPROPYL)AMINO)-3,3-DIMETHYL-7-OXO-, (2S-(2.ALPHA.,5.ALPHA.,6.BETA.))-
Common Name English
AMPICILLIN, ANHYDROUS IMPURITY J [EP IMPURITY]
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID00215177
Created by admin on Sat Dec 17 20:07:03 UTC 2022 , Edited by admin on Sat Dec 17 20:07:03 UTC 2022
PRIMARY
CAS
6489-58-3
Created by admin on Sat Dec 17 20:07:03 UTC 2022 , Edited by admin on Sat Dec 17 20:07:03 UTC 2022
PRIMARY
FDA UNII
6MM8IJ3O7L
Created by admin on Sat Dec 17 20:07:03 UTC 2022 , Edited by admin on Sat Dec 17 20:07:03 UTC 2022
PRIMARY
PUBCHEM
209820
Created by admin on Sat Dec 17 20:07:03 UTC 2022 , Edited by admin on Sat Dec 17 20:07:03 UTC 2022
PRIMARY
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