β-Funaltrexamine

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 Search

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 `Sat Dec 16 08:30:38 GMT 2023` Edited by `admin` on `Sat Dec 16 08:30:38 GMT 2023`
Record UNII	9YX958J3X9
Record Status	`Validated (UNII)`
Record Version

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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