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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H16N4
Molecular Weight 288.3464
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CYCLOPENT(B)INDOLE-7-CARBONITRILE, 2-AMINO-1,2,3,4-TETRAHYDRO-4-(2-PYRIDINYLMETHYL)-, (2S)-

SMILES

N[C@@H]1CC2=C(C1)C3=C(C=CC(=C3)C#N)N2CC4=CC=CC=N4

InChI

InChIKey=AAFKKZAJPJKSNG-ZDUSSCGKSA-N
InChI=1S/C18H16N4/c19-10-12-4-5-17-15(7-12)16-8-13(20)9-18(16)22(17)11-14-3-1-2-6-21-14/h1-7,13H,8-9,11,20H2/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H16N4
Molecular Weight 288.3464
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:15:31 GMT 2023
Edited
by admin
on Sat Dec 16 15:15:31 GMT 2023
Record UNII
MHR6CQ71X7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CYCLOPENT(B)INDOLE-7-CARBONITRILE, 2-AMINO-1,2,3,4-TETRAHYDRO-4-(2-PYRIDINYLMETHYL)-, (2S)-
Systematic Name English
LY2452473 METABOLITE S4
Common Name English
Code System Code Type Description
FDA UNII
MHR6CQ71X7
Created by admin on Sat Dec 16 15:15:31 GMT 2023 , Edited by admin on Sat Dec 16 15:15:31 GMT 2023
PRIMARY
CAS
1029712-63-7
Created by admin on Sat Dec 16 15:15:31 GMT 2023 , Edited by admin on Sat Dec 16 15:15:31 GMT 2023
PRIMARY
PUBCHEM
67252404
Created by admin on Sat Dec 16 15:15:31 GMT 2023 , Edited by admin on Sat Dec 16 15:15:31 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
URINE