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Details

Stereochemistry ACHIRAL
Molecular Formula C25H30N2O6
Molecular Weight 454.5155
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of β-Funaltrexamine

SMILES

[H][C@@]12OC3=C(O)C=CC4=C3[C@@]15CCN(CC6CC6)[C@H](C4)[C@]5(O)CC[C@H]2NC(=O)\C=C\C(=O)OC

InChI

InChIKey=PQKHESYTSKMWFP-WZJCLRDWSA-N
InChI=1S/C25H30N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-7,14,16,18,23,28,31H,2-3,8-13H2,1H3,(H,26,29)/b7-6+/t16-,18-,23+,24+,25-/m1/s1

HIDE SMILES / InChI

Molecular Formula C25H30N2O6
Molecular Weight 454.5155
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 13:56:58 UTC 2023
Edited
by admin
on Thu Jul 06 13:56:58 UTC 2023
Record UNII
9YX958J3X9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
β-Funaltrexamine
Common Name English
BETA-FUNALTREXAMINE
Common Name English
2-Butenoic acid, 4-[[(5α,6β)-17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-yl]amino]-4-oxo-, methyl ester, (2E)-
Systematic Name English
β-Naltrexamine N-(methyl fumarate)
Common Name English
2-Butenoic acid, 4-[[(5α,6β)-17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-yl]amino]-4-oxo-, methyl ester, (E)-
Systematic Name English
β-FNA
Common Name English
Code System Code Type Description
WIKIPEDIA
beta-Funaltrexamine
Created by admin on Thu Jul 06 13:56:58 UTC 2023 , Edited by admin on Thu Jul 06 13:56:58 UTC 2023
PRIMARY
FDA UNII
9YX958J3X9
Created by admin on Thu Jul 06 13:56:58 UTC 2023 , Edited by admin on Thu Jul 06 13:56:58 UTC 2023
PRIMARY
CAS
72782-05-9
Created by admin on Thu Jul 06 13:56:58 UTC 2023 , Edited by admin on Thu Jul 06 13:56:58 UTC 2023
PRIMARY
EPA CompTox
DTXSID501316803
Created by admin on Thu Jul 06 13:56:58 UTC 2023 , Edited by admin on Thu Jul 06 13:56:58 UTC 2023
PRIMARY
PUBCHEM
5311018
Created by admin on Thu Jul 06 13:56:58 UTC 2023 , Edited by admin on Thu Jul 06 13:56:58 UTC 2023
PRIMARY
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TARGET -> INHIBITOR
IRREVERSIBLE INHIBITOR
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ACTIVE MOIETY