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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H27N3O4S
Molecular Weight 477.575
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NICTIAZEM

SMILES

COC1=CC=C(C=C1)[C@@H]2SC3=CC=CC=C3N(CCN(C)C)C(=O)[C@@H]2OC(=O)C4=CC=CN=C4

InChI

InChIKey=DSYNMAGEJOOLTQ-RPWUZVMVSA-N
InChI=1S/C26H27N3O4S/c1-28(2)15-16-29-21-8-4-5-9-22(21)34-24(18-10-12-20(32-3)13-11-18)23(25(29)30)33-26(31)19-7-6-14-27-17-19/h4-14,17,23-24H,15-16H2,1-3H3/t23-,24+/m1/s1

HIDE SMILES / InChI

Molecular Formula C26H27N3O4S
Molecular Weight 477.575
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:57:54 GMT 2023
Edited
by admin
on Fri Dec 15 15:57:54 GMT 2023
Record UNII
XYJ5J90IQJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NICTIAZEM
INN  
INN  
Official Name English
(+)-CIS-5-(2-(DIMETHYLAMINO)ETHYL)-2,3-DIHYDRO-3-HYDROXY-2-(P-METHOXYPHENYL)-1,5-BENZOTHIAZEPIN-4(5H)-ONE NICOTINATE (ESTER)
Common Name English
nictiazem [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C333
Created by admin on Fri Dec 15 15:57:54 GMT 2023 , Edited by admin on Fri Dec 15 15:57:54 GMT 2023
Code System Code Type Description
SMS_ID
100000084400
Created by admin on Fri Dec 15 15:57:54 GMT 2023 , Edited by admin on Fri Dec 15 15:57:54 GMT 2023
PRIMARY
NCI_THESAURUS
C84013
Created by admin on Fri Dec 15 15:57:54 GMT 2023 , Edited by admin on Fri Dec 15 15:57:54 GMT 2023
PRIMARY
INN
5820
Created by admin on Fri Dec 15 15:57:54 GMT 2023 , Edited by admin on Fri Dec 15 15:57:54 GMT 2023
PRIMARY
EVMPD
SUB09250MIG
Created by admin on Fri Dec 15 15:57:54 GMT 2023 , Edited by admin on Fri Dec 15 15:57:54 GMT 2023
PRIMARY
PUBCHEM
10457747
Created by admin on Fri Dec 15 15:57:54 GMT 2023 , Edited by admin on Fri Dec 15 15:57:54 GMT 2023
PRIMARY
FDA UNII
XYJ5J90IQJ
Created by admin on Fri Dec 15 15:57:54 GMT 2023 , Edited by admin on Fri Dec 15 15:57:54 GMT 2023
PRIMARY
EPA CompTox
DTXSID801024774
Created by admin on Fri Dec 15 15:57:54 GMT 2023 , Edited by admin on Fri Dec 15 15:57:54 GMT 2023
PRIMARY
ChEMBL
CHEMBL2104453
Created by admin on Fri Dec 15 15:57:54 GMT 2023 , Edited by admin on Fri Dec 15 15:57:54 GMT 2023
PRIMARY
CAS
95058-70-1
Created by admin on Fri Dec 15 15:57:54 GMT 2023 , Edited by admin on Fri Dec 15 15:57:54 GMT 2023
PRIMARY
Related Record Type Details
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