ECGONINE METHYL-D3 ESTER HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C10H17NO3.ClH
Molecular Weight	238.726
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ECGONINE METHYL-D3 ESTER HYDROCHLORIDE

Structure Search

SMILES

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

InChI

InChIKey=RLLMNWXOZDXKCQ-AJBHHCKVSA-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/i2D3;

HIDE SMILES / InChI

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

Molecular Formula	C10H17NO3
Molecular Weight	202.2654
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 05:00:32 GMT 2023` Edited by `admin` on `Sat Dec 16 05:00:32 GMT 2023`
Record UNII	IY20CN19I9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ECGONINE METHYL-D3 ESTER HYDROCHLORIDE

Common Name

English

8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 3-HYDROXY-8-METHYL-, METHYL-D3 ESTER, HYDROCHLORIDE, (1R,2R,3S,5S)-

Systematic Name

English

8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 3-HYDROXY-8-METHYL-, METHYL-D3 ESTER, HYDROCHLORIDE, (1R-(EXO,EXO))-

Systematic Name

English

Code System Code Type Description

CAS

118357-31-6

Created by admin on Sat Dec 16 05:00:32 GMT 2023 , Edited by admin on Sat Dec 16 05:00:32 GMT 2023

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EPA CompTox

DTXSID70745512

Created by admin on Sat Dec 16 05:00:32 GMT 2023 , Edited by admin on Sat Dec 16 05:00:32 GMT 2023

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FDA UNII

IY20CN19I9

Created by admin on Sat Dec 16 05:00:32 GMT 2023 , Edited by admin on Sat Dec 16 05:00:32 GMT 2023

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PUBCHEM

76974747

Created by admin on Sat Dec 16 05:00:32 GMT 2023 , Edited by admin on Sat Dec 16 05:00:32 GMT 2023

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Related Record Type Details


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ECGONINE METHYL-D3 ESTER

PARENT -> SALT/SOLVATE