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Details

Stereochemistry ACHIRAL
Molecular Formula C9H10N2S
Molecular Weight 178.254
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETISAZOLE

SMILES

CCNC1=NSC2=CC=CC=C12

InChI

InChIKey=CPYSWRYVSINXMC-UHFFFAOYSA-N
InChI=1S/C9H10N2S/c1-2-10-9-7-5-3-4-6-8(7)12-11-9/h3-6H,2H2,1H3,(H,10,11)

HIDE SMILES / InChI

Molecular Formula C9H10N2S
Molecular Weight 178.254
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Originator

Sources: Stolle, R., Ber., 1925, 58, 2095
Curator's Comment: reference retrieved from https://link.springer.com/chapter/10.1007%2F978-1-4757-2085-3_5

Approval Year

PubMed

PubMed

TitleDatePubMed
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:37:57 GMT 2023
Edited
by admin
on Fri Dec 15 16:37:57 GMT 2023
Record UNII
G0WB531332
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETISAZOLE
INN  
INN  
Official Name English
BAY-VA-9387
Code English
ETISAZOL
MI  
Common Name English
BAY VA 9387
Code English
ETISAZOL [MI]
Common Name English
3-(ETHYLAMINO)-1,2-BENZISOTHIAZOLE
Systematic Name English
etisazole [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C514
Created by admin on Fri Dec 15 16:37:57 GMT 2023 , Edited by admin on Fri Dec 15 16:37:57 GMT 2023
Code System Code Type Description
INN
2662
Created by admin on Fri Dec 15 16:37:57 GMT 2023 , Edited by admin on Fri Dec 15 16:37:57 GMT 2023
PRIMARY
PUBCHEM
72079
Created by admin on Fri Dec 15 16:37:57 GMT 2023 , Edited by admin on Fri Dec 15 16:37:57 GMT 2023
PRIMARY
SMS_ID
100000082079
Created by admin on Fri Dec 15 16:37:57 GMT 2023 , Edited by admin on Fri Dec 15 16:37:57 GMT 2023
PRIMARY
MERCK INDEX
m178
Created by admin on Fri Dec 15 16:37:57 GMT 2023 , Edited by admin on Fri Dec 15 16:37:57 GMT 2023
PRIMARY Merck Index
NCI_THESAURUS
C65581
Created by admin on Fri Dec 15 16:37:57 GMT 2023 , Edited by admin on Fri Dec 15 16:37:57 GMT 2023
PRIMARY
EVMPD
SUB07310MIG
Created by admin on Fri Dec 15 16:37:57 GMT 2023 , Edited by admin on Fri Dec 15 16:37:57 GMT 2023
PRIMARY
FDA UNII
G0WB531332
Created by admin on Fri Dec 15 16:37:57 GMT 2023 , Edited by admin on Fri Dec 15 16:37:57 GMT 2023
PRIMARY
MESH
C027996
Created by admin on Fri Dec 15 16:37:57 GMT 2023 , Edited by admin on Fri Dec 15 16:37:57 GMT 2023
PRIMARY
EPA CompTox
DTXSID00227917
Created by admin on Fri Dec 15 16:37:57 GMT 2023 , Edited by admin on Fri Dec 15 16:37:57 GMT 2023
PRIMARY
CAS
7716-60-1
Created by admin on Fri Dec 15 16:37:57 GMT 2023 , Edited by admin on Fri Dec 15 16:37:57 GMT 2023
PRIMARY
ECHA (EC/EINECS)
231-739-9
Created by admin on Fri Dec 15 16:37:57 GMT 2023 , Edited by admin on Fri Dec 15 16:37:57 GMT 2023
PRIMARY
ChEMBL
CHEMBL2106654
Created by admin on Fri Dec 15 16:37:57 GMT 2023 , Edited by admin on Fri Dec 15 16:37:57 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY