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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H25NO4
Molecular Weight 343.4176
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6.BETA.-NALTREXOL

SMILES

C1CC1CN2CC[C@@]34c5c6ccc(c5O[C@@]4([H])[C@@]([H])(CC[C@]3([C@@]2([H])C6)O)O)O

InChI

InChIKey=JLVNEHKORQFVQJ-PYIJOLGTSA-N
InChI=1S/C20H25NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,14-15,18,22-24H,1-2,5-10H2/t14-,15-,18+,19+,20-/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H25NO4
Molecular Weight 343.4176
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Substance Class Chemical
Created
by admin
on Sat Jun 26 10:20:46 UTC 2021
Edited
by admin
on Sat Jun 26 10:20:46 UTC 2021
Record UNII
J0W963M37T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6.BETA.-NALTREXOL
Common Name English
AIKO-150
Code English
6.BETA.-HYDROXYNALTREXONE
Common Name English
MORPHINAN-3,6,14-TRIOL, 17-(CYCLOPROPYLMETHYL)-4,5-EPOXY-, (5.ALPHA.,6.BETA.)-
Systematic Name English
.BETA.-NALTREXOL
Common Name English
Code System Code Type Description
WIKIPEDIA
6?-Naltrexol
Created by admin on Sat Jun 26 10:20:46 UTC 2021 , Edited by admin on Sat Jun 26 10:20:46 UTC 2021
PRIMARY
EPA CompTox
49625-89-0
Created by admin on Sat Jun 26 10:20:46 UTC 2021 , Edited by admin on Sat Jun 26 10:20:46 UTC 2021
PRIMARY
CAS
49625-89-0
Created by admin on Sat Jun 26 10:20:46 UTC 2021 , Edited by admin on Sat Jun 26 10:20:46 UTC 2021
PRIMARY
FDA UNII
J0W963M37T
Created by admin on Sat Jun 26 10:20:46 UTC 2021 , Edited by admin on Sat Jun 26 10:20:46 UTC 2021
PRIMARY
PUBCHEM
5486554
Created by admin on Sat Jun 26 10:20:46 UTC 2021 , Edited by admin on Sat Jun 26 10:20:46 UTC 2021
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
PARENT -> METABOLITE ACTIVE