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Details

Stereochemistry MIXED
Molecular Formula C17H22ClNO
Molecular Weight 291.816
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 3
E/Z Centers 1
Charge 0
Stereo Comments Assumed mixed

SHOW SMILES / InChI
Structure of 3-(3-CHLOROALLYL)-1,2,3,4,5,6-HEXAHYDRO-5,9-DIMETHYL-2,6-METHANO-3-BENZAZOCIN-8-OL, (3Z)-

SMILES

CC1CN(C\C=C\Cl)C2CC1C3=CC(O)=C(C)C=C3C2

InChI

InChIKey=MJFPELMAEILBCR-ONEGZZNKSA-N
InChI=1S/C17H22ClNO/c1-11-6-13-7-14-8-15(16(13)9-17(11)20)12(2)10-19(14)5-3-4-18/h3-4,6,9,12,14-15,20H,5,7-8,10H2,1-2H3/b4-3+

HIDE SMILES / InChI

Molecular Formula C17H22ClNO
Molecular Weight 291.816
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 3
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:11:36 GMT 2023
Edited
by admin
on Fri Dec 15 15:11:36 GMT 2023
Record UNII
W8T3390TCH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(3-CHLOROALLYL)-1,2,3,4,5,6-HEXAHYDRO-5,9-DIMETHYL-2,6-METHANO-3-BENZAZOCIN-8-OL, (3Z)-
Systematic Name English
2,6-METHANO-3-BENZAZOCIN-8-OL, 3-(3-CHLORO-2-PROPEN-1-YL)-1,2,3,4,5,6-HEXAHYDRO-5,9-DIMETHYL-
Systematic Name English
2,6-METHANO-3-BENZAZOCIN-8-OL, 3-(3-CHLOROALLYL)-1,2,3,4,5,6-HEXAHYDRO-5,9-DIMETHYL-, (Z)-
Systematic Name English
Code System Code Type Description
FDA UNII
W8T3390TCH
Created by admin on Fri Dec 15 15:11:36 GMT 2023 , Edited by admin on Fri Dec 15 15:11:36 GMT 2023
PRIMARY
PUBCHEM
135390770
Created by admin on Fri Dec 15 15:11:36 GMT 2023 , Edited by admin on Fri Dec 15 15:11:36 GMT 2023
PRIMARY
CAS
22204-17-7
Created by admin on Fri Dec 15 15:11:36 GMT 2023 , Edited by admin on Fri Dec 15 15:11:36 GMT 2023
PRIMARY