ECGONINE METHYL ESTER HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C10H17NO3.ClH
Molecular Weight	235.708
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ECGONINE METHYL ESTER HYDROCHLORIDE

Structure Search

SMILES

Cl.COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1O)N2C

InChI

InChIKey=RLLMNWXOZDXKCQ-NPPHLGRCSA-N

InChI=1S/C10H17NO3.ClH/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2;/h6-9,12H,3-5H2,1-2H3;1H/t6-,7+,8-,9+;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C10H17NO3
Molecular Weight	199.2469
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
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

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:54:08 UTC 2023` Edited by `admin` on `Fri Dec 15 15:54:08 UTC 2023`
Record UNII	VY81V42YYZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ECGONINE METHYL ESTER HYDROCHLORIDE

Common Name

English

8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 3-HYDROXY-8-METHYL-, METHYL ESTER, HYDROCHLORIDE (1:1), (1R,2R,3S,5S)-

Systematic Name

English

METHYLESTER HYDROCHLORIDE ECGONINE

Common Name

English

3.BETA.-HYDROXY-2.BETA.-TROPANECARBOXYLIC ACID METHYL ESTER HYDROCHLORIDE

Common Name

English

ECGONINE METHYLESTER HYDROCHLORIDE

Common Name

English

(-)-ECGONINE METHYL ESTER HYDROCHLORIDE

Common Name

English

Code System Code Type Description

PUBCHEM

162352

Created by admin on Fri Dec 15 15:54:08 UTC 2023 , Edited by admin on Fri Dec 15 15:54:08 UTC 2023

PRIMARY

EPA CompTox

DTXSID10959818

Created by admin on Fri Dec 15 15:54:08 UTC 2023 , Edited by admin on Fri Dec 15 15:54:08 UTC 2023

PRIMARY

CAS

38969-40-3

Created by admin on Fri Dec 15 15:54:08 UTC 2023 , Edited by admin on Fri Dec 15 15:54:08 UTC 2023

PRIMARY

FDA UNII

VY81V42YYZ

Created by admin on Fri Dec 15 15:54:08 UTC 2023 , Edited by admin on Fri Dec 15 15:54:08 UTC 2023

PRIMARY

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