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

Details

Stereochemistry ABSOLUTE
Molecular Formula 3C16H17N2O4S.Al
Molecular Weight 1027.128
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PENICILLIN G ALUMINUM

SMILES

[Al+3].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)CC3=CC=CC=C3)C([O-])=O.[H][C@]45SC(C)(C)[C@@H](N4C(=O)[C@H]5NC(=O)CC6=CC=CC=C6)C([O-])=O.[H][C@]78SC(C)(C)[C@@H](N7C(=O)[C@H]8NC(=O)CC9=CC=CC=C9)C([O-])=O

InChI

InChIKey=OUHOSEHKMRWIFD-HMGFDHFNSA-K
InChI=1S/3C16H18N2O4S.Al/c3*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*3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);/q;;;+3/p-3/t3*11-,12+,14-;/m111./s1

HIDE SMILES / InChI

Approval Year

Cmax

Cmax

ValueDoseCo-administeredAnalytePopulation
0.142 unit/mL
100000 unit 1 times / day multiple, oral
dose: 100000 unit
route of administration: Oral
experiment type: MULTIPLE
co-administered:
PENICILLIN G plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FED
0.138 unit/mL
100000 unit single, oral
dose: 100000 unit
route of administration: Oral
experiment type: SINGLE
co-administered:
PENICILLIN G plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
Name Type Language
PENICILLIN G ALUMINUM
Common Name English
ALUMINUM BENZYLPENICILLIN
Common Name English
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3,3-DIMETHYL-7-OXO-6-((PHENYLACETYL)AMINO)-(2S-(2.ALPHA.,5.ALPHA.,6.BETA.))-, ALUMINUM SALT (3:1)
Systematic Name English
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3,3-DIMETHYL-7-OXO-6-((PHENYLACETYL)AMINO)- (2S,5R,6R)-, ALUMINUM SALT (3:1)
Systematic Name English
BUCCOCILLINE
Brand Name English
Code System Code Type Description
FDA UNII
1C87B1N51X
Created by admin on Sat Dec 16 10:50:42 UTC 2023 , Edited by admin on Sat Dec 16 10:50:42 UTC 2023
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CAS
55520-39-3
Created by admin on Sat Dec 16 10:50:42 UTC 2023 , Edited by admin on Sat Dec 16 10:50:42 UTC 2023
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PUBCHEM
72710666
Created by admin on Sat Dec 16 10:50:42 UTC 2023 , Edited by admin on Sat Dec 16 10:50:42 UTC 2023
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