NORBINALTORPHIMINE DIHYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C40H43N3O6.2ClH
Molecular Weight	734.708
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of NORBINALTORPHIMINE DIHYDROCHLORIDE

Structure Search

SMILES

Cl.Cl.OC1=C2O[C@H]3C4=C(C[C@@]5(O)[C@H]6CC(C=C1)=C2[C@@]35CCN6CC7CC7)C8=C(N4)[C@@H]9OC%10=C(O)C=CC%11=C%10[C@@]9%12CCN(CC%13CC%13)[C@H](C%11)[C@]%12(O)C8

InChI

InChIKey=JOJPJLHRMGPDPV-LZQROVCBSA-N

InChI=1S/C40H43N3O6.2ClH/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19;;/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2;2*1H/t27-,28-,35+,36+,37+,38+,39-,40-;;/m1../s1

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C40H43N3O6
Molecular Weight	661.7859
Charge	0
Count

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

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Kappa opioid receptor 115 Target ID: CHEMBL237 Sources: https://www.ncbi.nlm.nih.gov/pubmed/2831070	Antagonist 2849
Mu opioid receptor 231 Target ID: CHEMBL233 Sources: https://www.ncbi.nlm.nih.gov/pubmed/2831070	Antagonist 2849
Delta opioid receptor 81 Target ID: CHEMBL236 Sources: https://www.ncbi.nlm.nih.gov/pubmed/2831070	Antagonist 2849

Substance Class	Chemical Created by `admin` on `Wed Apr 02 05:43:56 GMT 2025` Edited by `admin` on `Wed Apr 02 05:43:56 GMT 2025`
Record UNII	Y8WNP37PIV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NORBINALTORPHIMINE DIHYDROCHLORIDE

Common Name

English

N-DEMETHYLBINALTORPHIMINE DIHYDROCHLORIDE

Preferred Name

English

Code System Code Type Description

CAS

113158-34-2

Created by admin on Wed Apr 02 05:43:56 GMT 2025 , Edited by admin on Wed Apr 02 05:43:56 GMT 2025

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PUBCHEM

11957626

Created by admin on Wed Apr 02 05:43:56 GMT 2025 , Edited by admin on Wed Apr 02 05:43:56 GMT 2025

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FDA UNII

Y8WNP37PIV

Created by admin on Wed Apr 02 05:43:56 GMT 2025 , Edited by admin on Wed Apr 02 05:43:56 GMT 2025

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EPA CompTox

DTXSID501018083

Created by admin on Wed Apr 02 05:43:56 GMT 2025 , Edited by admin on Wed Apr 02 05:43:56 GMT 2025

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