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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H16Cl3NO2
Molecular Weight 384.684
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DEMETHYL NNC-22-0215

SMILES

OC1=C(Cl)C=C2CCNC[C@@H](C2=C1)C3=C4OCCC4=CC(Cl)=C3Cl

InChI

InChIKey=OKGXQIFLUFLHEC-LBPRGKRZSA-N
InChI=1S/C18H16Cl3NO2/c19-13-5-9-1-3-22-8-12(11(9)7-15(13)23)16-17(21)14(20)6-10-2-4-24-18(10)16/h5-7,12,22-23H,1-4,8H2/t12-/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
DEMETHYL NNC-22-0215
Common Name English
1H-3-BENZAZEPIN-7-OL, 8-CHLORO-5-(5,6-DICHLORO-2,3-DIHYDRO-7-BENZOFURANYL)-2,3,4,5-TETRAHYDRO-, (5S)-
Preferred Name English
(5S)-8-CHLORO-5-(5,6-DICHLORO-2,3-DIHYDRO-7-BENZOFURANYL)-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPIN-7-OL
Systematic Name English
Code System Code Type Description
FDA UNII
UW7AZ9W96Q
Created by admin on Mon Mar 31 22:41:48 GMT 2025 , Edited by admin on Mon Mar 31 22:41:48 GMT 2025
PRIMARY
PUBCHEM
157010674
Created by admin on Mon Mar 31 22:41:48 GMT 2025 , Edited by admin on Mon Mar 31 22:41:48 GMT 2025
PRIMARY
CAS
212249-91-7
Created by admin on Mon Mar 31 22:41:48 GMT 2025 , Edited by admin on Mon Mar 31 22:41:48 GMT 2025
PRIMARY
NIH
NCATS
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