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.[H][C@@]12OC3=C(O)C=CC4=C3[C@@]15CCN(CC6CC6)[C@]([H])(C4)[C@]5(O)CC7=C2NC8=C7C[C@@]9(O)[C@@]%10([H])CC%11=C%12C(O[C@]8([H])[C@@]9%12CCN%10CC%13CC%13)=C(O)C=C%11

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	C40H43N3O6
Molecular Weight	661.7859
Charge	0
Count

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

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

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Kappa opioid receptor 108 Target ID: CHEMBL237 Sources: https://www.ncbi.nlm.nih.gov/pubmed/2831070	Antagonist 2778
Mu opioid receptor 221 Target ID: CHEMBL233 Sources: https://www.ncbi.nlm.nih.gov/pubmed/2831070	Antagonist 2778
Delta opioid receptor 77 Target ID: CHEMBL236 Sources: https://www.ncbi.nlm.nih.gov/pubmed/2831070	Antagonist 2778

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:29:50 UTC 2023` Edited by `admin` on `Sat Dec 16 15:29:50 UTC 2023`
Record UNII	Y8WNP37PIV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NORBINALTORPHIMINE DIHYDROCHLORIDE

Common Name

English

N-DEMETHYLBINALTORPHIMINE DIHYDROCHLORIDE

Common Name

English

Code System Code Type Description

CAS

113158-34-2

Created by admin on Sat Dec 16 15:29:50 UTC 2023 , Edited by admin on Sat Dec 16 15:29:50 UTC 2023

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PUBCHEM

11957626

Created by admin on Sat Dec 16 15:29:50 UTC 2023 , Edited by admin on Sat Dec 16 15:29:50 UTC 2023

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FDA UNII

Y8WNP37PIV

Created by admin on Sat Dec 16 15:29:50 UTC 2023 , Edited by admin on Sat Dec 16 15:29:50 UTC 2023

PRIMARY

EPA CompTox

DTXSID501018083

Created by admin on Sat Dec 16 15:29:50 UTC 2023 , Edited by admin on Sat Dec 16 15:29:50 UTC 2023

PRIMARY

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