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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H27NO5
Molecular Weight 373.4428
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-HYDROXY-3-METHOXY-6.BETA.-NALTREXOL

SMILES

COC1=C(O)C=C2C[C@H]3N(CC4CC4)CC[C@@]56[C@@H](OC1=C25)[C@H](O)CC[C@@]36O

InChI

InChIKey=GWCHXDJGNDNHIQ-RERAUARKSA-N
InChI=1S/C21H27NO5/c1-26-17-14(24)8-12-9-15-21(25)5-4-13(23)19-20(21,16(12)18(17)27-19)6-7-22(15)10-11-2-3-11/h8,11,13,15,19,23-25H,2-7,9-10H2,1H3/t13-,15-,19+,20+,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H27NO5
Molecular Weight 373.4428
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:19:53 GMT 2025
Edited
by admin
on Mon Mar 31 22:19:53 GMT 2025
Record UNII
30798G941L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-HYDROXY-3-O-METHYL-6.BETA.-NALTREXOL
Preferred Name English
2-HYDROXY-3-METHOXY-6.BETA.-NALTREXOL
Common Name English
MORPHINAN-2,6,14-TRIOL, 17-(CYCLOPROPYLMETHYL)-4,5-EPOXY-3-METHOXY-, (5.ALPHA.,6.BETA.)-
Systematic Name English
Code System Code Type Description
FDA UNII
30798G941L
Created by admin on Mon Mar 31 22:19:53 GMT 2025 , Edited by admin on Mon Mar 31 22:19:53 GMT 2025
PRIMARY
PUBCHEM
5492306
Created by admin on Mon Mar 31 22:19:53 GMT 2025 , Edited by admin on Mon Mar 31 22:19:53 GMT 2025
PRIMARY
CAS
57355-35-8
Created by admin on Mon Mar 31 22:19:53 GMT 2025 , Edited by admin on Mon Mar 31 22:19:53 GMT 2025
PRIMARY
EPA CompTox
DTXSID20205959
Created by admin on Mon Mar 31 22:19:53 GMT 2025 , Edited by admin on Mon Mar 31 22:19:53 GMT 2025
PRIMARY
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