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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H18ClNO2
Molecular Weight 327.805
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NNC-112

SMILES

CN1CCC2=C(C=C(O)C(Cl)=C2)[C@H](C1)C3=CC=CC4=C3OC=C4

InChI

InChIKey=RUSANBIFMAXXSJ-MRXNPFEDSA-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

HIDE SMILES / InChI

Approval Year

Name Type Language
NNC-112
Code English
1H-3-BENZAZEPIN-7-OL, 5-(7-BENZOFURANYL)-8-CHLORO-2,3,4,5-TETRAHYDRO-3-METHYL-, (5S)-
Common Name English
(+)-NNC 112
Code English
(S)-5-(BENZOFURAN-7-YL)-8-CHLORO-3-METHYL-2,3,4,5-TETRAHYDRO-1H-BENZO(D)AZEPIN-7-OL
Common Name English
Code System Code Type Description
FDA UNII
KH84I8R060 PRIMARY
EPA CompTox
DTXSID10925098 PRIMARY
CAS
125341-24-4 PRIMARY
PUBCHEM
130424 PRIMARY