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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H26NO7S
Molecular Weight 436.499
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of METHYLNALTREXONE O-SULFATE

SMILES

[H][C@]12OC3=C4C(C[C@]5([H])[C@](O)(CCC1=O)[C@]24CC[N@+]5(C)CC6CC6)=CC=C3OS(O)(=O)=O

InChI

InChIKey=SFSKDPJZGSPJJC-WIXLDOGYSA-O
InChI=1S/C21H25NO7S/c1-22(11-12-2-3-12)9-8-20-17-13-4-5-15(29-30(25,26)27)18(17)28-19(20)14(23)6-7-21(20,24)16(22)10-13/h4-5,12,16,19,24H,2-3,6-11H2,1H3/p+1/t16-,19+,20+,21-,22-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H26NO7S
Molecular Weight 436.499
Charge 1
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 Sat Dec 16 15:38:11 GMT 2023
Edited
by admin
on Sat Dec 16 15:38:11 GMT 2023
Record UNII
ILE3OK3KL0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYLNALTREXONE O-SULFATE
Common Name English
METHYLNALTREXONE METABOLITE M2
Common Name English
Code System Code Type Description
PUBCHEM
68256002
Created by admin on Sat Dec 16 15:38:12 GMT 2023 , Edited by admin on Sat Dec 16 15:38:12 GMT 2023
PRIMARY
FDA UNII
ILE3OK3KL0
Created by admin on Sat Dec 16 15:38:12 GMT 2023 , Edited by admin on Sat Dec 16 15:38:12 GMT 2023
PRIMARY
Related Record Type Details
IONIC MOIETY
Related Record Type Details
PARENT -> METABOLITE