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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 ESTER HYDROCHLORIDE, (N-METHYL-D3)-

SMILES

Cl.[2H]C([2H])([2H])N1[C@H]2CC[C@@H]1[C@H]([C@@H](O)C2)C(=O)OC

InChI

InChIKey=RLLMNWXOZDXKCQ-GOKATOLTSA-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/i1D3;

HIDE SMILES / InChI

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

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 Sat Dec 16 05:09:58 GMT 2023
Edited
by admin
on Sat Dec 16 05:09:58 GMT 2023
Record UNII
THW92NZG0J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ECGONINE METHYL ESTER HYDROCHLORIDE, (N-METHYL-D3)-
Common Name English
8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 3-HYDROXY-8-(METHYL-D3)-, METHYL ESTER HYDROCHLORIDE, (1R,2R,3S,5S)-
Systematic Name English
ECGONINE METHYL ESTER-(N-METHYL-D3) HYDROCHLORIDE
Common Name English
8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 3-HYDROXY-8-(METHYL-D3)-, METHYL ESTER HYDROCHLORIDE, (1R-(EXO,EXO))-
Systematic Name English
Code System Code Type Description
FDA UNII
THW92NZG0J
Created by admin on Sat Dec 16 05:09:58 GMT 2023 , Edited by admin on Sat Dec 16 05:09:58 GMT 2023
PRIMARY
PUBCHEM
71316301
Created by admin on Sat Dec 16 05:09:58 GMT 2023 , Edited by admin on Sat Dec 16 05:09:58 GMT 2023
PRIMARY
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