BW-373U86, (±)-

Details

Stereochemistry	RACEMIC
Molecular Formula	C27H37N3O2
Molecular Weight	435.6016
Optical Activity	( + / - )
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)[C@@H](N2C[C@@H](C)N(CC=C)C[C@@H]2C)C3=CC(O)=CC=C3

InChI

InChIKey=LBLDMHBSVIVJPM-YZIHRLCOSA-N

InChI=1S/C27H37N3O2/c1-6-16-29-18-21(5)30(19-20(29)4)26(24-10-9-11-25(31)17-24)22-12-14-23(15-13-22)27(32)28(7-2)8-3/h6,9-15,17,20-21,26,31H,1,7-8,16,18-19H2,2-5H3/t20-,21+,26-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H37N3O2
Molecular Weight	435.6016
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Mu opioid receptor 221 Target ID: CHEMBL270 Sources: https://www.ncbi.nlm.nih.gov/pubmed/9822547	Agonist 2678		9.7 nM [IC50]
Delta opioid receptor 77 Target ID: CHEMBL269 Sources: https://www.ncbi.nlm.nih.gov/pubmed/9822547	Agonist 2678		0.31 nM [IC50]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:46:21 GMT 2023` Edited by `admin` on `Sat Dec 16 08:46:21 GMT 2023`
Record UNII	RR2QFN29K7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BW-373U86, (±)-

Common Name

English

rel-4-[(R)-[(2S,5R)-2,5-Dimethyl-4-(2-propen-1-yl)-1-piperazinyl](3-hydroxyphenyl)methyl]-N,N-diethylbenzamide

Systematic Name

English

Benzamide, 4-[(R)-[(2S,5R)-2,5-dimethyl-4-(2-propen-1-yl)-1-piperazinyl](3-hydroxyphenyl)methyl]-N,N-diethyl-, rel-

Systematic Name

English

Benzamide, 4-[[2,5-dimethyl-4-(2-propenyl)-1-piperazinyl](3-hydroxyphenyl)methyl]-N,N-diethyl-, [1(S*),2α,5β]-(±)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

119029