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Details

Stereochemistry ABSOLUTE
Molecular Formula C9H15NO3.ClH
Molecular Weight 221.681
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ECGONINE HYDROCHLORIDE

SMILES

Cl.CN1[C@H]2CC[C@@H]1[C@H]([C@@H](O)C2)C(O)=O

InChI

InChIKey=HVWQTEPEBQYIFB-PXXJPSRFSA-N
InChI=1S/C9H15NO3.ClH/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5;/h5-8,11H,2-4H2,1H3,(H,12,13);1H/t5-,6+,7-,8+;/m0./s1

HIDE SMILES / InChI

Molecular Formula C9H15NO3
Molecular Weight 185.2203
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 08:53:12 UTC 2023
Edited
by admin
on Sat Dec 16 08:53:12 UTC 2023
Record UNII
W1Q6UAE4VA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ECGONINE HYDROCHLORIDE
MI  
Common Name English
(1R,2R,3S,5S)-3-HYDROXY-8-METHYL-8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID HYDROCHLORIDE
Systematic Name English
ECGONINE HYDROCHLORIDE [MI]
Common Name English
(-)-ECGONINE HYDROCHLORIDE
Common Name English
L-ECGONINE HYDROCHLORIDE
Common Name English
8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 3-HYDROXY-8-METHYL-, HYDROCHLORIDE (1:1), (1R,2R,3S,5S)-
Systematic Name English
Classification Tree Code System Code
DEA NO. 9180
Created by admin on Sat Dec 16 08:53:12 UTC 2023 , Edited by admin on Sat Dec 16 08:53:12 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID90973532
Created by admin on Sat Dec 16 08:53:12 UTC 2023 , Edited by admin on Sat Dec 16 08:53:12 UTC 2023
PRIMARY
PUBCHEM
10933027
Created by admin on Sat Dec 16 08:53:12 UTC 2023 , Edited by admin on Sat Dec 16 08:53:12 UTC 2023
PRIMARY
MERCK INDEX
m4810
Created by admin on Sat Dec 16 08:53:12 UTC 2023 , Edited by admin on Sat Dec 16 08:53:12 UTC 2023
PRIMARY Merck Index
CAS
5796-31-6
Created by admin on Sat Dec 16 08:53:12 UTC 2023 , Edited by admin on Sat Dec 16 08:53:12 UTC 2023
PRIMARY
FDA UNII
W1Q6UAE4VA
Created by admin on Sat Dec 16 08:53:12 UTC 2023 , Edited by admin on Sat Dec 16 08:53:12 UTC 2023
PRIMARY