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Details

Stereochemistry ACHIRAL
Molecular Formula C11H16N2O3S.H2O
Molecular Weight 274.337
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALDARET MONOHYDRATE

SMILES

O.CC1=CC(=C(C=C1)N2CCNCC2)S(O)(=O)=O

InChI

InChIKey=ZRQKZWAOIRVBFD-UHFFFAOYSA-N
InChI=1S/C11H16N2O3S.H2O/c1-9-2-3-10(11(8-9)17(14,15)16)13-6-4-12-5-7-13;/h2-3,8,12H,4-7H2,1H3,(H,14,15,16);1H2

HIDE SMILES / InChI

Approval Year

Name Type Language
CALDARET MONOHYDRATE
Common Name English
MCC-135
Common Name English
BENZENESULFONIC ACID, 5-METHYL-2-(1-PIPERAZINYL)-, MONOHYDRATE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID20431256
Created by admin on Fri Dec 15 15:49:11 UTC 2023 , Edited by admin on Fri Dec 15 15:49:11 UTC 2023
PRIMARY
DRUG BANK
DBSALT002435
Created by admin on Fri Dec 15 15:49:11 UTC 2023 , Edited by admin on Fri Dec 15 15:49:11 UTC 2023
PRIMARY
CAS
192509-24-3
Created by admin on Fri Dec 15 15:49:11 UTC 2023 , Edited by admin on Fri Dec 15 15:49:11 UTC 2023
PRIMARY
FDA UNII
2SH110E854
Created by admin on Fri Dec 15 15:49:11 UTC 2023 , Edited by admin on Fri Dec 15 15:49:11 UTC 2023
PRIMARY
PUBCHEM
9816981
Created by admin on Fri Dec 15 15:49:11 UTC 2023 , Edited by admin on Fri Dec 15 15:49:11 UTC 2023
PRIMARY