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Details

Stereochemistry ACHIRAL
Molecular Formula C28H31F2N5O2
Molecular Weight 507.5748
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ICOSPIRAMIDE

SMILES

NC(=O)CN1CN(C2=CC=C(F)C=C2)C3(CCN(CC3)[C@H]4CC[C@](CC4)(C#N)C5=CC=C(F)C=C5)C1=O

InChI

InChIKey=HVWIHGNIDIIREZ-JIBACQESSA-N
InChI=1S/C28H31F2N5O2/c29-21-3-1-20(2-4-21)27(18-31)11-9-23(10-12-27)33-15-13-28(14-16-33)26(37)34(17-25(32)36)19-35(28)24-7-5-22(30)6-8-24/h1-8,23H,9-17,19H2,(H2,32,36)/t23-,27-

HIDE SMILES / InChI

Molecular Formula C28H31F2N5O2
Molecular Weight 507.5748
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:37:54 GMT 2023
Edited
by admin
on Fri Dec 15 15:37:54 GMT 2023
Record UNII
H0N246YG4Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ICOSPIRAMIDE
INN  
INN  
Official Name English
icospiramide [INN]
Common Name English
8-(CIS-4-CYANO-4-(P-FLUOROPHENYL)CYCLOHEXYL)-1-(P-FLUOROPHENYL)-4-OXO-1,3,8-TRIAZASPIRO(4.5)DECANE-3-ACETAMIDE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C267
Created by admin on Fri Dec 15 15:37:54 GMT 2023 , Edited by admin on Fri Dec 15 15:37:54 GMT 2023
Code System Code Type Description
EPA CompTox
DTXSID301107068
Created by admin on Fri Dec 15 15:37:54 GMT 2023 , Edited by admin on Fri Dec 15 15:37:54 GMT 2023
PRIMARY
EVMPD
SUB08110MIG
Created by admin on Fri Dec 15 15:37:54 GMT 2023 , Edited by admin on Fri Dec 15 15:37:54 GMT 2023
PRIMARY
ECHA (EC/EINECS)
279-161-6
Created by admin on Fri Dec 15 15:37:54 GMT 2023 , Edited by admin on Fri Dec 15 15:37:54 GMT 2023
PRIMARY
FDA UNII
H0N246YG4Y
Created by admin on Fri Dec 15 15:37:54 GMT 2023 , Edited by admin on Fri Dec 15 15:37:54 GMT 2023
PRIMARY
ChEMBL
CHEMBL2105050
Created by admin on Fri Dec 15 15:37:54 GMT 2023 , Edited by admin on Fri Dec 15 15:37:54 GMT 2023
PRIMARY
SMS_ID
100000083674
Created by admin on Fri Dec 15 15:37:54 GMT 2023 , Edited by admin on Fri Dec 15 15:37:54 GMT 2023
PRIMARY
CAS
79449-99-3
Created by admin on Fri Dec 15 15:37:54 GMT 2023 , Edited by admin on Fri Dec 15 15:37:54 GMT 2023
PRIMARY
INN
5394
Created by admin on Fri Dec 15 15:37:54 GMT 2023 , Edited by admin on Fri Dec 15 15:37:54 GMT 2023
PRIMARY
NCI_THESAURUS
C75195
Created by admin on Fri Dec 15 15:37:54 GMT 2023 , Edited by admin on Fri Dec 15 15:37:54 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY