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

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

[H][C@@]12OC3=C4C(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2O)=CC(O)=C3OC

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

Approval Year

Name Type Language
2-HYDROXY-3-METHOXY-6.BETA.-NALTREXOL
Common Name English
2-HYDROXY-3-O-METHYL-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 Sat Dec 16 08:49:59 GMT 2023 , Edited by admin on Sat Dec 16 08:49:59 GMT 2023
PRIMARY
PUBCHEM
5492306
Created by admin on Sat Dec 16 08:49:59 GMT 2023 , Edited by admin on Sat Dec 16 08:49:59 GMT 2023
PRIMARY
CAS
57355-35-8
Created by admin on Sat Dec 16 08:49:59 GMT 2023 , Edited by admin on Sat Dec 16 08:49:59 GMT 2023
PRIMARY
EPA CompTox
DTXSID20205959
Created by admin on Sat Dec 16 08:49:59 GMT 2023 , Edited by admin on Sat Dec 16 08:49:59 GMT 2023
PRIMARY