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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H17NO3
Molecular Weight 202.2654
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ECGONINE METHYL ESTER, (N-METHYL-D3)-

SMILES

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

InChI

InChIKey=QIQNNBXHAYSQRY-ZZNOJACOSA-N
InChI=1S/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/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

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 21:22:48 GMT 2025
Edited
by admin
on Mon Mar 31 21:22:48 GMT 2025
Record UNII
B6Z8WPQ4UX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 3-HYDROXY-8-(METHYL-D3)-, METHYL ESTER, (1R,2R,3S,5S)-
Preferred Name English
ECGONINE METHYL ESTER, (N-METHYL-D3)-
Common Name English
8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 3-HYDROXY-8-(METHYL-D3)-, METHYL ESTER, (1R-(EXO,EXO))-
Systematic Name English
Code System Code Type Description
PUBCHEM
10560042
Created by admin on Mon Mar 31 21:22:48 GMT 2025 , Edited by admin on Mon Mar 31 21:22:48 GMT 2025
PRIMARY
EPA CompTox
DTXSID10894098
Created by admin on Mon Mar 31 21:22:48 GMT 2025 , Edited by admin on Mon Mar 31 21:22:48 GMT 2025
PRIMARY
CAS
136765-34-9
Created by admin on Mon Mar 31 21:22:48 GMT 2025 , Edited by admin on Mon Mar 31 21:22:48 GMT 2025
PRIMARY
FDA UNII
B6Z8WPQ4UX
Created by admin on Mon Mar 31 21:22:48 GMT 2025 , Edited by admin on Mon Mar 31 21:22:48 GMT 2025
PRIMARY
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