BROMADOLINE MALEATE

Details

Stereochemistry	RACEMIC
Molecular Formula	C15H21BrN2O.C4H4O4
Molecular Weight	441.316
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)\C=C/C(O)=O.CN(C)[C@H]1CCCC[C@@H]1NC(=O)C2=CC=C(Br)C=C2

InChI

InChIKey=XHCXKGFNPZETQY-YHPCKPBFSA-N

InChI=1S/C15H21BrN2O.C4H4O4/c1-18(2)14-6-4-3-5-13(14)17-15(19)11-7-9-12(16)10-8-11;5-3(6)1-2-4(7)8/h7-10,13-14H,3-6H2,1-2H3,(H,17,19);1-2H,(H,5,6)(H,7,8)/b;2-1-/t13-,14-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C4H4O4
Molecular Weight	116.0722
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Molecular Formula	C15H21BrN2O
Molecular Weight	325.244
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/4009438 | https://www.ncbi.nlm.nih.gov/pubmed/3559988 | https://worldwide.espacenet.com/publicationDetails/biblio?DB=EPODOC&II=0&ND=3&adjacent=true&locale=en_EP&FT=D&date=19780518&CC=DE&NR=2749984A1&KC=A1

Bromadoline is a selective agonist of a μ-opioid receptor with potent analgesic activity developed by the Upjohn company in the 1970s for pain management.

CNS Activity

Originator

Approval Year

PubMed

Title	Date	PubMed

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:11:34 GMT 2023` Edited by `admin` on `Fri Dec 15 16:11:34 GMT 2023`
Record UNII	0NLD148UB3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BROMADOLINE MALEATE

Official Name

English

Bromadoline maleate [WHO-DD]

Common Name

English

BENZAMIDE, 4-BROMO-N-(SP2-(DIMETHYLAMINO)CYCLOHEXYL)-, TRANS-, (Z)-2-BUTENEDIOATE (1:1)

Common Name

English

TRANS-P-BROMO-N-(2-(DIMETHYLAMINO)CYCLOHEXYL)BENZAMIDE MALEATE (1:1)

Common Name

English

U-47931E

Code

English

U-47,931E

Code

English

BROMADOLINE MALEATE [USAN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C241