2,2?-Bisnalmefene

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C42H48N2O6
Molecular Weight	676.8403
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC1=C2O[C@H]3C(=C)CC[C@@]4(O)[C@H]5CC(C=C1C6=CC7=C8C(O[C@H]9C(=C)CC[C@@]%10(O)[C@@H](C7)N(CC%11CC%11)CC[C@]89%10)=C6O)=C2[C@@]34CCN5CC%12CC%12

InChI

InChIKey=DEKUTJDLMXTWRE-CVQRZJKKSA-N

InChI=1S/C42H48N2O6/c1-21-7-9-41(47)29-17-25-15-27(33(45)35-31(25)39(41,37(21)49-35)11-13-43(29)19-23-3-4-23)28-16-26-18-30-42(48)10-8-22(2)38-40(42,32(26)36(50-38)34(28)46)12-14-44(30)20-24-5-6-24/h15-16,23-24,29-30,37-38,45-48H,1-14,17-20H2/t29-,30-,37+,38+,39+,40+,41-,42-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C42H48N2O6
Molecular Weight	676.8403
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 21:23:29 GMT 2025` Edited by `admin` on `Wed Apr 02 21:23:29 GMT 2025`
Record UNII	QG9J4G8XBY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,2?-Bisnalmefene

Common Name

English

2,2?-Bis(6-deoxo-6-methylenenaltrexone)

Preferred Name

English

[2,2?-Bimorphinan]-3,3?,14,14?-tetrol, 17,17?-bis(cyclopropylmethyl)-4,5:4?,5?-diepoxy-6,6?-bis(methylene)-, (5?)-(5??)-

Systematic Name

English

(4R,4aS,7aS,12bS)-10-[(4R,4aS,7aS,12bS)-3-(Cyclopropylmethyl)-4a,9-dihydroxy-7-methylidene-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-10-yl]-3-(cyclopropylmethyl)-7-methylidene-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-

Systematic Name

English

(5?)-(5??)-17,17?-Bis(cyclopropylmethyl)-4,5:4?,5?-diepoxy-6,6?-bis(methylene)[2,2?-bimorphinan]-3,3?,14,14?-tetrol

Systematic Name

English

Code System Code Type Description

FDA UNII

QG9J4G8XBY

Created by admin on Wed Apr 02 21:23:29 GMT 2025 , Edited by admin on Wed Apr 02 21:23:29 GMT 2025

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CAS

176220-84-1

Created by admin on Wed Apr 02 21:23:29 GMT 2025 , Edited by admin on Wed Apr 02 21:23:29 GMT 2025

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PUBCHEM

5491397

Created by admin on Wed Apr 02 21:23:29 GMT 2025 , Edited by admin on Wed Apr 02 21:23:29 GMT 2025

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