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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.BETA.-NALTREXOL

SMILES

C[N@+]2(CC1CC1)CC[C@]34[C@H]5OC6=C(O)C=CC(C[C@@H]2[C@]3(O)CC[C@H]5O)=C46

InChI

InChIKey=ZDECYIARZVKYGM-PEFXOJROSA-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-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H28NO4
Molecular Weight 358.4513
Charge 1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 05:58:53 GMT 2025
Edited
by admin
on Wed Apr 02 05:58:53 GMT 2025
Record UNII
QC5L0W1IMT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL-6.BETA.-NALTREXOL
Common Name English
METHYLNALTREXONE METABOLITE M5
Preferred Name English
Code System Code Type Description
PUBCHEM
68256000
Created by admin on Wed Apr 02 05:58:53 GMT 2025 , Edited by admin on Wed Apr 02 05:58:53 GMT 2025
PRIMARY
FDA UNII
QC5L0W1IMT
Created by admin on Wed Apr 02 05:58:53 GMT 2025 , Edited by admin on Wed Apr 02 05:58:53 GMT 2025
PRIMARY
Related Record Type Details
IONIC MOIETY
Related Record Type Details
PARENT -> METABOLITE