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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H28N4O7S2
Molecular Weight 524.61
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Benapenem

SMILES

[H][C@]12[C@@H](C)C(S[C@@H]3CN[C@@H](C3)C(=O)NCC4=CC=C(C=C4)S(N)(=O)=O)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O

InChI

InChIKey=JNSMRGMLNPEWLR-PDCLSYJBSA-N
InChI=1S/C22H28N4O7S2/c1-10-17-16(11(2)27)21(29)26(17)18(22(30)31)19(10)34-13-7-15(24-9-13)20(28)25-8-12-3-5-14(6-4-12)35(23,32)33/h3-6,10-11,13,15-17,24,27H,7-9H2,1-2H3,(H,25,28)(H,30,31)(H2,23,32,33)/t10-,11-,13+,15+,16-,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H28N4O7S2
Molecular Weight 524.61
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 19:27:11 GMT 2023
Edited
by admin
on Sat Dec 16 19:27:11 GMT 2023
Record UNII
RE7F9LDG3H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benapenem
Common Name English
1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[(3S,5S)-5-[[[[4-(aminosulfonyl)phenyl]methyl]amino]carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-, (4R,5S,6S)-
Systematic Name English
(4R,5S,6S)-3-[[(3S,5S)-5-[[[[4-(Aminosulfonyl)phenyl]methyl]amino]carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Systematic Name English
Code System Code Type Description
FDA UNII
RE7F9LDG3H
Created by admin on Sat Dec 16 19:27:11 GMT 2023 , Edited by admin on Sat Dec 16 19:27:11 GMT 2023
PRIMARY
PUBCHEM
58326208
Created by admin on Sat Dec 16 19:27:11 GMT 2023 , Edited by admin on Sat Dec 16 19:27:11 GMT 2023
PRIMARY
CAS
1312953-83-5
Created by admin on Sat Dec 16 19:27:11 GMT 2023 , Edited by admin on Sat Dec 16 19:27:11 GMT 2023
PRIMARY
Related Record Type Details
METABOLITE INACTIVE -> PARENT
Related Record Type Details
ACTIVE MOIETY
A time-dependent bactericidal drug and had an antibacterial spectrum similar to that of other carbapenems.