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

Details

Stereochemistry ABSOLUTE
Molecular Formula C13H19ClN2O2.C13H18N2O4S2
Molecular Weight 601.178
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALMECILLIN CHLOROPROCAINE

SMILES

CCN(CC)CCOC(=O)C1=C(Cl)C=C(N)C=C1.[H][C@]23SC(C)(C)[C@@H](N2C(=O)[C@H]3NC(=O)CSCC=C)C(O)=O

InChI

InChIKey=QTSRNJOUSLIETA-IDDVTLSWSA-N
InChI=1S/C13H19ClN2O2.C13H18N2O4S2/c1-3-16(4-2)7-8-18-13(17)11-6-5-10(15)9-12(11)14;1-4-5-20-6-7(16)14-8-10(17)15-9(12(18)19)13(2,3)21-11(8)15/h5-6,9H,3-4,7-8,15H2,1-2H3;4,8-9,11H,1,5-6H2,2-3H3,(H,14,16)(H,18,19)/t;8-,9+,11-/m.1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ALMECILLIN CHLOROPROCAINE
Common Name English
PENICILLIN O CHLOROPROCAINE
Common Name English
PENICILLIN O 2-CHLOROPROCAINE SALT MONOHYDRATE
Common Name English
CHLOROPROCAINE PENICILLIN O
Common Name English
PENICILLIN O 2-CHLOROPROCAINE
Common Name English
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3,3-DIMETHYL-7-OXO-6-(((2-PROPENYLTHIO)ACETYL)AMINO)-, (2S,5R,6R)-, COMPD. WITH 2-(DIETHYLAMINO)ETHYL 4-AMINO-2-CHLOROBENZOATE (1:1)
Common Name English
Code System Code Type Description
CAS
575-52-0
Created by admin on Fri Dec 15 16:25:14 GMT 2023 , Edited by admin on Fri Dec 15 16:25:14 GMT 2023
PRIMARY
EPA CompTox
DTXSID20274746
Created by admin on Fri Dec 15 16:25:14 GMT 2023 , Edited by admin on Fri Dec 15 16:25:14 GMT 2023
PRIMARY
PUBCHEM
20055524
Created by admin on Fri Dec 15 16:25:14 GMT 2023 , Edited by admin on Fri Dec 15 16:25:14 GMT 2023
PRIMARY
CAS
7179-55-7
Created by admin on Fri Dec 15 16:25:14 GMT 2023 , Edited by admin on Fri Dec 15 16:25:14 GMT 2023
NON-SPECIFIC STOICHIOMETRY
FDA UNII
O3NVO08Z59
Created by admin on Fri Dec 15 16:25:14 GMT 2023 , Edited by admin on Fri Dec 15 16:25:14 GMT 2023
PRIMARY