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Details

Stereochemistry RACEMIC
Molecular Formula C16H23NO2.ClH
Molecular Weight 297.82
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CGS-18102A

SMILES

Cl.[H][C@]12COC3=CC=CC(OC)=C3[C@]1([H])CCCN2CCC

InChI

InChIKey=IIARBXRSECAIPI-KZCZEQIWSA-N
InChI=1S/C16H23NO2.ClH/c1-3-9-17-10-5-6-12-13(17)11-19-15-8-4-7-14(18-2)16(12)15;/h4,7-8,12-13H,3,5-6,9-11H2,1-2H3;1H/t12-,13+;/m1./s1

HIDE SMILES / InChI

Molecular Formula C16H23NO2
Molecular Weight 261.3593
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 05:09:10 GMT 2023
Edited
by admin
on Sat Dec 16 05:09:10 GMT 2023
Record UNII
XO8NS5A6ZS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CGS-18102A
Code English
2H-(1)BENZOPYRANO(3,4-B)PYRIDINE, 1,3,4,4A,5,10B-HEXAHYDRO-10-METHOXY-4-PROPYL-, HYDROCHLORIDE, (4AR,10BS)-REL-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID50905718
Created by admin on Sat Dec 16 05:09:10 GMT 2023 , Edited by admin on Sat Dec 16 05:09:10 GMT 2023
PRIMARY
CAS
100746-36-9
Created by admin on Sat Dec 16 05:09:10 GMT 2023 , Edited by admin on Sat Dec 16 05:09:10 GMT 2023
PRIMARY
PUBCHEM
146963
Created by admin on Sat Dec 16 05:09:10 GMT 2023 , Edited by admin on Sat Dec 16 05:09:10 GMT 2023
PRIMARY
FDA UNII
XO8NS5A6ZS
Created by admin on Sat Dec 16 05:09:10 GMT 2023 , Edited by admin on Sat Dec 16 05:09:10 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE