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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H18ClNO2
Molecular Weight 326.805
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NNC-112 C-11

SMILES

[11CH3]N1CCC2=C(C=C(O)C(Cl)=C2)[C@H](C1)C3=CC=CC4=C3OC=C4

InChI

InChIKey=RUSANBIFMAXXSJ-XNJXNPSASA-N
InChI=1S/C19H18ClNO2/c1-21-7-5-13-9-17(20)18(22)10-15(13)16(11-21)14-4-2-3-12-6-8-23-19(12)14/h2-4,6,8-10,16,22H,5,7,11H2,1H3/t16-/m1/s1/i1-1

HIDE SMILES / InChI

Approval Year

Name Type Language
NNC-112 C-11
Code English
8-CHLORO-7-HYDROXY-3-METHYL-5-(BENZOFURAN-7-YL)-2,3,4,5-1H-BENZAZEPINE, C-11, D-
Systematic Name English
(+)-(11C)NNC 112
Code English
(11C)-NNC-112
Common Name English
1H-3-BENZAZEPIN-7-OL, 5-(7-BENZOFURANYL)-8-CHLORO-2,3,4,5-TETRAHYDRO-3-(METHYL-11C)-, (5S)-
Common Name English
Code System Code Type Description
FDA UNII
C2T43FLG0U
Created by admin on Sat Dec 16 15:39:42 GMT 2023 , Edited by admin on Sat Dec 16 15:39:42 GMT 2023
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PUBCHEM
449975
Created by admin on Sat Dec 16 15:39:42 GMT 2023 , Edited by admin on Sat Dec 16 15:39:42 GMT 2023
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CAS
212249-90-6
Created by admin on Sat Dec 16 15:39:42 GMT 2023 , Edited by admin on Sat Dec 16 15:39:42 GMT 2023
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