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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H24N2O2.C16H18N2O4S
Molecular Weight 658.807
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Penicillin G quinine

SMILES

[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)CC3=CC=CC=C3)C(O)=O.[H][C@]4(C[C@@H]5CC[N@]4C[C@@H]5C=C)[C@H](O)C6=CC=NC7=C6C=C(OC)C=C7

InChI

InChIKey=XZOMVPUQYPKUQN-UZFPGZSESA-N
InChI=1S/C20H24N2O2.C16H18N2O4S/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t13-,14-,19-,20+;11-,12+,14-/m01/s1

HIDE SMILES / InChI

Molecular Formula C20H24N2O2
Molecular Weight 324.4168
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C16H18N2O4S
Molecular Weight 334.39
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 16 19:17:09 UTC 2023
Edited
by admin
on Sat Dec 16 19:17:09 UTC 2023
Record UNII
M7PHE4F8HL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Penicillin G quinine
Common Name English
Benzylpenicillin quinine
Common Name English
Quinine penicillin G salt
Common Name English
Benzylpenicillin quinine [WHO-DD]
Common Name English
Code System Code Type Description
FDA UNII
M7PHE4F8HL
Created by admin on Sat Dec 16 19:17:09 UTC 2023 , Edited by admin on Sat Dec 16 19:17:09 UTC 2023
PRIMARY
CAS
696628-37-2
Created by admin on Sat Dec 16 19:17:09 UTC 2023 , Edited by admin on Sat Dec 16 19:17:09 UTC 2023
PRIMARY
PUBCHEM
164888919
Created by admin on Sat Dec 16 19:17:09 UTC 2023 , Edited by admin on Sat Dec 16 19:17:09 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY
ACTIVE MOIETY