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Details

Stereochemistry ACHIRAL
Molecular Formula C11H16N2O3S
Molecular Weight 256.321
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALDARET

SMILES

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

InChI

InChIKey=DCDFLGVJWQIRGH-UHFFFAOYSA-N
InChI=1S/C11H16N2O3S/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)

HIDE SMILES / InChI

Approval Year

Name Type Language
CALDARET
INN  
INN  
Official Name English
caldaret [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C333
Created by admin on Fri Dec 15 16:39:12 UTC 2023 , Edited by admin on Fri Dec 15 16:39:12 UTC 2023
Code System Code Type Description
SMS_ID
300000036945
Created by admin on Fri Dec 15 16:39:12 UTC 2023 , Edited by admin on Fri Dec 15 16:39:12 UTC 2023
PRIMARY
FDA UNII
9L3Y3IJ2HI
Created by admin on Fri Dec 15 16:39:12 UTC 2023 , Edited by admin on Fri Dec 15 16:39:12 UTC 2023
PRIMARY
DRUG BANK
DB06231
Created by admin on Fri Dec 15 16:39:12 UTC 2023 , Edited by admin on Fri Dec 15 16:39:12 UTC 2023
PRIMARY
EPA CompTox
DTXSID80158376
Created by admin on Fri Dec 15 16:39:12 UTC 2023 , Edited by admin on Fri Dec 15 16:39:12 UTC 2023
PRIMARY
NCI_THESAURUS
C77830
Created by admin on Fri Dec 15 16:39:12 UTC 2023 , Edited by admin on Fri Dec 15 16:39:12 UTC 2023
PRIMARY
ChEMBL
CHEMBL2106572
Created by admin on Fri Dec 15 16:39:12 UTC 2023 , Edited by admin on Fri Dec 15 16:39:12 UTC 2023
PRIMARY
INN
8113
Created by admin on Fri Dec 15 16:39:12 UTC 2023 , Edited by admin on Fri Dec 15 16:39:12 UTC 2023
PRIMARY
MESH
C487217
Created by admin on Fri Dec 15 16:39:12 UTC 2023 , Edited by admin on Fri Dec 15 16:39:12 UTC 2023
PRIMARY
PUBCHEM
6433076
Created by admin on Fri Dec 15 16:39:12 UTC 2023 , Edited by admin on Fri Dec 15 16:39:12 UTC 2023
PRIMARY
CAS
133804-44-1
Created by admin on Fri Dec 15 16:39:12 UTC 2023 , Edited by admin on Fri Dec 15 16:39:12 UTC 2023
PRIMARY