U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H23N3
Molecular Weight 294.3993
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NBI-3

SMILES

C[C@@]([H])(c1cnccn1)C2=C(CCN(C)C)Cc3ccccc32

InChI

InChIKey=AYEYSXMZCARQKR-ARGVGCKZSA-N
InChI=1S/C19H23N3/c1-14(18-13-20-9-10-21-18)19-16(8-11-22(2)3)12-15-6-4-5-7-17(15)19/h4-7,9-10,13-14H,8,11-12H2,1-3H3/t14-/m0/s1/i2+1

HIDE SMILES / InChI

Molecular Formula C19H23N3
Molecular Weight 294.3993
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 Jun 26 15:59:41 UTC 2021
Edited
by admin
on Sat Jun 26 15:59:41 UTC 2021
Record UNII
51Z4H26U4W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NBI-3
Code English
1H-INDENE-2-ETHANAMINE, N-METHYL-N-(METHYL-14C)-3-((1R)-1-(2-PYRAZINYL)ETHYL)-
Systematic Name English
Code System Code Type Description
CAS
1190929-46-4
Created by admin on Sat Jun 26 15:59:41 UTC 2021 , Edited by admin on Sat Jun 26 15:59:41 UTC 2021
PRIMARY
FDA UNII
51Z4H26U4W
Created by admin on Sat Jun 26 15:59:41 UTC 2021 , Edited by admin on Sat Jun 26 15:59:41 UTC 2021
PRIMARY
PUBCHEM
154572841
Created by admin on Sat Jun 26 15:59:41 UTC 2021 , Edited by admin on Sat Jun 26 15:59:41 UTC 2021
PRIMARY
Related Record Type Details
NON-LABELED -> LABELED
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY