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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H28NO4
Molecular Weight 358.4513
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of METHYL-6.ALPHA.-NALTREXOL

SMILES

[H][C@]12OC3=C4C(C[C@]5([H])[C@](O)(CC[C@@H]1O)[C@]24CC[N@+]5(C)CC6CC6)=CC=C3O

InChI

InChIKey=ZDECYIARZVKYGM-ZYVMHULMSA-O
InChI=1S/C21H27NO4/c1-22(11-12-2-3-12)9-8-20-17-13-4-5-14(23)18(17)26-19(20)15(24)6-7-21(20,25)16(22)10-13/h4-5,12,15-16,19,24-25H,2-3,6-11H2,1H3/p+1/t15-,16+,19-,20-,21+,22+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
METHYL-6.ALPHA.-NALTREXOL
Common Name English
METHYLNALTREXONE METABOLITE M4
Common Name English
MORPHINANIUM, 17-(CYCLOPROPYLMETHYL)-4,5-EPOXY-3,6,14-TRIHYDROXY-17-METHYL-, (5.ALPHA.,6.ALPHA.,17R)-
Systematic Name English
Code System Code Type Description
CAS
1078203-09-4
Created by admin on Sat Dec 16 15:32:36 GMT 2023 , Edited by admin on Sat Dec 16 15:32:36 GMT 2023
PRIMARY
FDA UNII
2SZ0YEH3SH
Created by admin on Sat Dec 16 15:32:36 GMT 2023 , Edited by admin on Sat Dec 16 15:32:36 GMT 2023
PRIMARY
PUBCHEM
68256001
Created by admin on Sat Dec 16 15:32:36 GMT 2023 , Edited by admin on Sat Dec 16 15:32:36 GMT 2023
PRIMARY