MetaADEDB 2.0 @ LMMD
ecgonine methyl ester
(QIQNNBXHAYSQRY-UYXSQOIJSA-N)
Structure
SMILES
COC(=O)[C@H]1[C@@H](O)C[C@H]2N([C@@H]1CC2)C
Type(s)
Experimental
Molecular Formula:
C10H17NO3
Molecular Weight:
199.247
Log P:
-0.0591
Hydrogen Bond Acceptor:
4
Hydrogen Bond Donor:
1
TPSA:
49.77
CAS Number(s):
7143-09-1; 1915211
Synonym(s)
1.
ecgonine methyl ester
2.
ecgonine methyl ester hydrochloride, (1R-(exo,exo))-isomer
3.
ecgonine methyl ester, (1R-(2-endo,3-exo))-isomer
4.
ecgonine methyl ester, (1R-(2-exo,3-endo))-isomer
5.
ecgonine methyl ester, (1R-(endo,endo))-isomer
6.
ecgonine methyl ester, (1S-(endo,endo))-isomer
7.
methyl ecgonine
External Link(s)
MeSHC034524
PubChem Compound104904
BindingDB50417947
ChEBI31529
CHEMBLCHEMBL1232472
DrugBankDB04688
ZINC4654765
Adverse Drug Event(s)
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