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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H26NO4
Molecular Weight 356.4354
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of METHYLNALTREXONE

SMILES

[H][C@]12OC3=C4C(C[C@]5([H])[C@](O)(CCC1=O)[C@]24CC[N@+]5(C)CC6CC6)=CC=C3O

InChI

InChIKey=JVLBPIPGETUEET-WIXLDOGYSA-O
InChI=1S/C21H25NO4/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/h4-5,12,16,19,25H,2-3,6-11H2,1H3/p+1/t16-,19+,20+,21-,22-/m1/s1

HIDE SMILES / InChI
Molecular Formula C21H25NO4
Molecular Weight 355.4275
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 4 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
123738
Substance Class Chemical
Created
by admin
on Fri Dec 15 17:15:35 UTC 2023
Edited
by admin
on Fri Dec 15 17:15:35 UTC 2023
Record UNII
0RK7M7IABE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYLNALTREXONE
VANDF   WHO-DD  
Common Name English
MNTX
Common Name English
(5.ALPHA.)-17-(CYCLOPROPYLMETHYL)-3,14-DIHYDROXY-17-METHYL-4,5-EPOXYMORPHINAN-17-IUM-6-ONE
Systematic Name English
MORPHINAN-17-IUM-6-ONE, 17-(CYCLOPROPYLMETHYL)-4,5-EPOXY-3,14-DIHYDROXY-17-METHYL-, (5.ALPHA.)-
Systematic Name English
MRZ-2663
Code English
METHYLNALTREXONE CATION
Common Name English
MORPHINAN-17-IUM-6-ONE, 17-(CYCLOPROPYLMETHYL)-4,5-EPOXY-3,14-DIHYDROXY-17-METHYL-, (5.ALPHA.,17R)-
Systematic Name English
METHYLNALTREXONE ION
Common Name English
METHYLNALTREXONE [MI]
Common Name English
MORPHINANIUM, 17-(CYCLOPROPYLMETHYL)-4,5-EPOXY-3,14-DIHYDROXY-17-METHYL-6-OXO-, (5.ALPHA.)-
Systematic Name English
Methylnaltrexone [WHO-DD]
Common Name English
METHYLNALTREXONE [VANDF]
Common Name English
Classification Tree Code System Code
NDF-RT N0000175691
Created by admin on Fri Dec 15 17:15:36 UTC 2023 , Edited by admin on Fri Dec 15 17:15:36 UTC 2023
NCI_THESAURUS C681
Created by admin on Fri Dec 15 17:15:36 UTC 2023 , Edited by admin on Fri Dec 15 17:15:36 UTC 2023
WHO-ATC A06AH01
Created by admin on Fri Dec 15 17:15:36 UTC 2023 , Edited by admin on Fri Dec 15 17:15:36 UTC 2023
FDA ORPHAN DRUG 92195
Created by admin on Fri Dec 15 17:15:36 UTC 2023 , Edited by admin on Fri Dec 15 17:15:36 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID20873339
Created by admin on Fri Dec 15 17:15:36 UTC 2023 , Edited by admin on Fri Dec 15 17:15:36 UTC 2023
PRIMARY
DAILYMED
0RK7M7IABE
Created by admin on Fri Dec 15 17:15:36 UTC 2023 , Edited by admin on Fri Dec 15 17:15:36 UTC 2023
PRIMARY
CAS
916055-93-1
Created by admin on Fri Dec 15 17:15:36 UTC 2023 , Edited by admin on Fri Dec 15 17:15:36 UTC 2023
PRIMARY
PUBCHEM
16089915
Created by admin on Fri Dec 15 17:15:36 UTC 2023 , Edited by admin on Fri Dec 15 17:15:36 UTC 2023
PRIMARY
WIKIPEDIA
METHYLNALTREXONE
Created by admin on Fri Dec 15 17:15:36 UTC 2023 , Edited by admin on Fri Dec 15 17:15:36 UTC 2023
PRIMARY
DRUG BANK
DB06800
Created by admin on Fri Dec 15 17:15:36 UTC 2023 , Edited by admin on Fri Dec 15 17:15:36 UTC 2023
PRIMARY
MESH
C032257
Created by admin on Fri Dec 15 17:15:36 UTC 2023 , Edited by admin on Fri Dec 15 17:15:36 UTC 2023
PRIMARY
IUPHAR
7563
Created by admin on Fri Dec 15 17:15:36 UTC 2023 , Edited by admin on Fri Dec 15 17:15:36 UTC 2023
PRIMARY
EVMPD
SUB33963
Created by admin on Fri Dec 15 17:15:36 UTC 2023 , Edited by admin on Fri Dec 15 17:15:36 UTC 2023
PRIMARY
RXCUI
29899
Created by admin on Fri Dec 15 17:15:36 UTC 2023 , Edited by admin on Fri Dec 15 17:15:36 UTC 2023
PRIMARY RxNorm
NCI_THESAURUS
C48403
Created by admin on Fri Dec 15 17:15:36 UTC 2023 , Edited by admin on Fri Dec 15 17:15:36 UTC 2023
PRIMARY
NDF-RT
N0000166489
Created by admin on Fri Dec 15 17:15:36 UTC 2023 , Edited by admin on Fri Dec 15 17:15:36 UTC 2023
PRIMARY Quaternary Ammonium Compounds [Chemical/Ingredient]
DRUG CENTRAL
4616
Created by admin on Fri Dec 15 17:15:36 UTC 2023 , Edited by admin on Fri Dec 15 17:15:36 UTC 2023
PRIMARY
MERCK INDEX
m7442
Created by admin on Fri Dec 15 17:15:36 UTC 2023 , Edited by admin on Fri Dec 15 17:15:36 UTC 2023
PRIMARY
CAS
83387-25-1
Created by admin on Fri Dec 15 17:15:36 UTC 2023 , Edited by admin on Fri Dec 15 17:15:36 UTC 2023
NON-SPECIFIC STEREOCHEMISTRY
LACTMED
Methylnaltrexone
Created by admin on Fri Dec 15 17:15:36 UTC 2023 , Edited by admin on Fri Dec 15 17:15:36 UTC 2023
PRIMARY
SMS_ID
100000127832
Created by admin on Fri Dec 15 17:15:36 UTC 2023 , Edited by admin on Fri Dec 15 17:15:36 UTC 2023
PRIMARY
FDA UNII
0RK7M7IABE
Created by admin on Fri Dec 15 17:15:36 UTC 2023 , Edited by admin on Fri Dec 15 17:15:36 UTC 2023
PRIMARY
Related Record Type Details
HUMAN SULFOTRANSFERASE 2A1
METABOLIC ENZYME -> SUBSTRATE
Structure of METHYLNALTREXONE BROMIDE
SALT/SOLVATE -> PARENT
ESTROGEN SULFOTRANSFERASE
METABOLIC ENZYME -> SUBSTRATE
MU-TYPE OPIOID RECEPTOR
TARGET -> INHIBITOR
Cannot cross blood-brain barrier due to positive charge
Related Record Type Details
Structure of METHYL-6.BETA.-NALTREXOL
METABOLITE -> PARENT
Structure of METHYLNALTREXONE O-SULFATE
METABOLITE -> PARENT
Structure of METHYL-6.ALPHA.-NALTREXOL
METABOLITE -> PARENT
Related Record Type Details
Structure of METHYLNALTREXONE
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Vdss PHARMACOKINETIC
Biological Half-life PHARMACOKINETIC Terminal
PHARMACOKINETIC
NIH
NCATS
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