ENDOBENZYLINE BROMIDE

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NCATS

Details

Stereochemistry	UNKNOWN
Molecular Formula	C20H28NO3.Br
Molecular Weight	410.345
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ENDOBENZYLINE BROMIDE

Structure Search

SMILES

[Br-].C[N+](C)(C)CCOC(=O)C(O)(C1CC2CC1C=C2)C3=CC=CC=C3

InChI

InChIKey=QNLXHSHSGBVAHM-UHFFFAOYSA-M

InChI=1S/C20H28NO3.BrH/c1-21(2,3)11-12-24-19(22)20(23,17-7-5-4-6-8-17)18-14-15-9-10-16(18)13-15;/h4-10,15-16,18,23H,11-14H2,1-3H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula	C20H27NO3
Molecular Weight	329.4333
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	BrH
Molecular Weight	80.912
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:17:15 GMT 2023` Edited by `admin` on `Fri Dec 15 17:17:15 GMT 2023`
Record UNII	L8T5A0W647
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ENDOBENZYLINE BROMIDE

Common Name

English

2-((BICYCLO(2.2.1)HEPT-5-EN-2-YLHYDROXYPHENYLACETYL)OXY)-N,N,N-TRIMETHYLETHANAMINIUM BROMIDE

Systematic Name

English

ETHANAMINIUM, 2-((2-BICYCLO(2.2.1)HEPT-5-EN-2-YL-2-HYDROXY-2-PHENYLACETYL)OXY)-N,N,N-TRIMETHYL-, BROMIDE (1:1)

Systematic Name

English

ENDOBENZYLINE BROMIDE [MI]

Common Name

English

N,N-(DIMETHYL)AMINO ETHYL-A-(BICYCLO(2.2.1)-5-HEPTENYL MANDELATE METHYL BROMIDE

Common Name

English

CHOLINE BROMIDE .ALPHA.-PHENYL-5-NORBORNENE-2-GLYCOLATE

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C66880

Created by admin on Fri Dec 15 17:17:15 GMT 2023 , Edited by admin on Fri Dec 15 17:17:15 GMT 2023

Code System Code Type Description

PUBCHEM

40222

Created by admin on Fri Dec 15 17:17:15 GMT 2023 , Edited by admin on Fri Dec 15 17:17:15 GMT 2023

PRIMARY

NCI_THESAURUS

C81458

Created by admin on Fri Dec 15 17:17:15 GMT 2023 , Edited by admin on Fri Dec 15 17:17:15 GMT 2023

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MERCK INDEX

m160

Created by admin on Fri Dec 15 17:17:15 GMT 2023 , Edited by admin on Fri Dec 15 17:17:15 GMT 2023

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Merck Index

EPA CompTox

DTXSID90966444

Created by admin on Fri Dec 15 17:17:15 GMT 2023 , Edited by admin on Fri Dec 15 17:17:15 GMT 2023

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FDA UNII

L8T5A0W647

Created by admin on Fri Dec 15 17:17:15 GMT 2023 , Edited by admin on Fri Dec 15 17:17:15 GMT 2023

PRIMARY

CAS

52080-56-5

Created by admin on Fri Dec 15 17:17:15 GMT 2023 , Edited by admin on Fri Dec 15 17:17:15 GMT 2023

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ChEMBL

CHEMBL2110818

Created by admin on Fri Dec 15 17:17:15 GMT 2023 , Edited by admin on Fri Dec 15 17:17:15 GMT 2023

PRIMARY

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