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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H17NO3
Molecular Weight 271.3111
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HIGENAMINE, (-)-

SMILES

OC1=CC=C(C[C@@H]2NCCC3=C2C=C(O)C(O)=C3)C=C1

InChI

InChIKey=WZRCQWQRFZITDX-AWEZNQCLSA-N
InChI=1S/C16H17NO3/c18-12-3-1-10(2-4-12)7-14-13-9-16(20)15(19)8-11(13)5-6-17-14/h1-4,8-9,14,17-20H,5-7H2/t14-/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H17NO3
Molecular Weight 271.3111
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:15:46 UTC 2023
Edited
by admin
on Sat Dec 16 10:15:46 UTC 2023
Record UNII
P94O9O6QM5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HIGENAMINE, (-)-
Common Name English
6,7-ISOQUINOLINEDIOL, 1,2,3,4-TETRAHYDRO-1-((4-HYDROXYPHENYL)METHYL)-, (1S)-
Systematic Name English
(S)-(-)-HIGENAMINE
Common Name English
6,7-ISOQUINOLINEDIOL, 1,2,3,4-TETRAHYDRO-1-((4-HYDROXYPHENYL)METHYL)-, (S)-
Systematic Name English
(-)-HIGENAMINE
Common Name English
COCLAURINE, O-DEMETHYL-
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID00331543
Created by admin on Sat Dec 16 10:15:46 UTC 2023 , Edited by admin on Sat Dec 16 10:15:46 UTC 2023
PRIMARY
FDA UNII
P94O9O6QM5
Created by admin on Sat Dec 16 10:15:46 UTC 2023 , Edited by admin on Sat Dec 16 10:15:46 UTC 2023
PRIMARY
PUBCHEM
440927
Created by admin on Sat Dec 16 10:15:46 UTC 2023 , Edited by admin on Sat Dec 16 10:15:46 UTC 2023
PRIMARY
CAS
22672-77-1
Created by admin on Sat Dec 16 10:15:46 UTC 2023 , Edited by admin on Sat Dec 16 10:15:46 UTC 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER