METELOIDINE HYDROBROMIDE DIHYDRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H21NO4.BrH.2H2O
Molecular Weight	372.253
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of METELOIDINE HYDROBROMIDE DIHYDRATE

Structure Search

SMILES

O.O.Br.C\C=C(/C)C(=O)O[C@H]1C[C@H]2[C@H](O)[C@H](O)[C@@H](C1)N2C

InChI

InChIKey=FPRLOVMYTFNVFQ-FUKDJFKTSA-N

InChI=1S/C13H21NO4.BrH.2H2O/c1-4-7(2)13(17)18-8-5-9-11(15)12(16)10(6-8)14(9)3;;;/h4,8-12,15-16H,5-6H2,1-3H3;1H;2*1H2/b7-4+;;;/t8-,9-,10+,11-,12+;;;

HIDE SMILES / InChI

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

Molecular Formula	C13H21NO4
Molecular Weight	255.3101
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	1
Optical Activity	UNSPECIFIED

Molecular Formula	H2O
Molecular Weight	18.0153
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 `Mon Mar 31 22:56:17 GMT 2025` Edited by `admin` on `Mon Mar 31 22:56:17 GMT 2025`
Record UNII	BD67DG9C5K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

METELOIDINE HYDROBROMIDE DIHYDRATE

Common Name

English

6,7-DIHYDROXYTROPINE 3-TIGLIC ACID ESTER, HYDROBROMIDE DIHYDRATE

Preferred Name

English

6,7-DIHYDROXY-3-TIGLOYLOXYTROPANE, HYDROBROMIDE DIHYDRATE

Systematic Name

English

2-BUTENOIC ACID, 2-METHYL-, 6,7-DIHYDROXY-8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL ESTER, HYDROBROMIDE, DIHYDRATE, (1.ALPHA.,3.BETA.(E),5.ALPHA.,6.ALPHA.,7.ALPHA.)-

Systematic Name

English

METELOIDINE HYDROBROMIDE DIHYDRATE [MI]

Common Name

English

Code System Code Type Description

FDA UNII

BD67DG9C5K

Created by admin on Mon Mar 31 22:56:17 GMT 2025 , Edited by admin on Mon Mar 31 22:56:17 GMT 2025

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MERCK INDEX

m7277

Created by admin on Mon Mar 31 22:56:17 GMT 2025 , Edited by admin on Mon Mar 31 22:56:17 GMT 2025

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Merck Index

CAS

5967-55-5

Created by admin on Mon Mar 31 22:56:17 GMT 2025 , Edited by admin on Mon Mar 31 22:56:17 GMT 2025

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Related Record Type Details


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METELOIDINE

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