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

Details

Stereochemistry MIXED
Molecular Formula C19H27N3O4S
Molecular Weight 393.5
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AMANTOCILLIN

SMILES

[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C34CC5CC(CC(N)(C5)C3)C4)C(O)=O

InChI

InChIKey=AZGNYRUNQKZSJQ-LMYIQIHKSA-N
InChI=1S/C19H27N3O4S/c1-17(2)12(15(24)25)22-13(23)11(14(22)27-17)21-16(26)18-4-9-3-10(5-18)7-19(20,6-9)8-18/h9-12,14H,3-8,20H2,1-2H3,(H,21,26)(H,24,25)/t9?,10?,11-,12+,14-,18?,19?/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H27N3O4S
Molecular Weight 393.5
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 3 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:01:26 GMT 2023
Edited
by admin
on Sat Dec 16 18:01:26 GMT 2023
Record UNII
GV5ZHU20H9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AMANTOCILLIN
INN  
INN  
Official Name English
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 6-(((3-AMINOTRICYCLO(3.3.1.13,7)DEC-1-YL)CARBONYL)AMINO)-3,3-DIMETHYL-7-OXO-, (2S,5R,6R)-
Common Name English
(3-AMINO-1-ADAMANTYL)PENICILLIN
Common Name English
6-(3-Amino-1-adamantanecarboxamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Systematic Name English
amantocillin [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C1500
Created by admin on Sat Dec 16 18:01:26 GMT 2023 , Edited by admin on Sat Dec 16 18:01:26 GMT 2023
Code System Code Type Description
EPA CompTox
DTXSID60881372
Created by admin on Sat Dec 16 18:01:26 GMT 2023 , Edited by admin on Sat Dec 16 18:01:26 GMT 2023
PRIMARY
SMS_ID
100000087647
Created by admin on Sat Dec 16 18:01:26 GMT 2023 , Edited by admin on Sat Dec 16 18:01:26 GMT 2023
PRIMARY
PUBCHEM
10318432
Created by admin on Sat Dec 16 18:01:26 GMT 2023 , Edited by admin on Sat Dec 16 18:01:26 GMT 2023
PRIMARY
EVMPD
SUB05391MIG
Created by admin on Sat Dec 16 18:01:26 GMT 2023 , Edited by admin on Sat Dec 16 18:01:26 GMT 2023
PRIMARY
FDA UNII
GV5ZHU20H9
Created by admin on Sat Dec 16 18:01:26 GMT 2023 , Edited by admin on Sat Dec 16 18:01:26 GMT 2023
PRIMARY
ChEMBL
CHEMBL2107667
Created by admin on Sat Dec 16 18:01:26 GMT 2023 , Edited by admin on Sat Dec 16 18:01:26 GMT 2023
PRIMARY
INN
2168
Created by admin on Sat Dec 16 18:01:26 GMT 2023 , Edited by admin on Sat Dec 16 18:01:26 GMT 2023
PRIMARY
CAS
10004-67-8
Created by admin on Sat Dec 16 18:01:26 GMT 2023 , Edited by admin on Sat Dec 16 18:01:26 GMT 2023
PRIMARY
NCI_THESAURUS
C72693
Created by admin on Sat Dec 16 18:01:26 GMT 2023 , Edited by admin on Sat Dec 16 18:01:26 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY