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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H21NO4.C4H6O6
Molecular Weight 453.4406
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PSEUDOCOCAINE TARTRATE

SMILES

CN1[C@@]2([H])CC[C@]1([H])[C@@]([H])([C@]([H])(C2)OC(=O)c3ccccc3)C(=O)OC.[C@@]([H])([C@]([H])(C(=O)O)O)(C(=O)O)O

InChI

InChIKey=MRJHQVZNBKASQN-GASYBUPXSA-N
InChI=1S/C17H21NO4.C4H6O6/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11;5-1(3(7)8)2(6)4(9)10/h3-7,12-15H,8-10H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t12-,13+,14-,15-;1-,2-/m01/s1

HIDE SMILES / InChI

Molecular Formula C4H6O6
Molecular Weight 150.087
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C17H21NO4
Molecular Weight 303.3536
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 Jun 26 07:55:41 UTC 2021
Edited
by admin
on Sat Jun 26 07:55:41 UTC 2021
Record UNII
1O0S7ZUF73
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PSEUDOCOCAINE TARTRATE
MI  
Common Name English
(1R,2S,3S,5S)-3-(BENZOYLOXY)-8-METHYL-8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID METHYL ESTER TARTRATE
Systematic Name English
PSEUDOCOCAINE TARTRATE [MI]
Common Name English
PSEUDOCOCAINE, TARTRATE
Common Name English
PSEUDOCOCAINE BITARTRATE
Common Name English
8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 3-(BENZOYLOXY)-8-METHYL-, METHYL ESTER, (1R,2S,3S,5S)-, (2R,3R)-2,3-DIHYDROXYBUTANEDIOATE (1:1)
Systematic Name English
PSICAINE
Common Name English
PSEUDOCOCAINE, TARTRATE (1:1)
Common Name English
Code System Code Type Description
CAS
1176-03-0
Created by admin on Sat Jun 26 07:55:41 UTC 2021 , Edited by admin on Sat Jun 26 07:55:41 UTC 2021
PRIMARY
PUBCHEM
102009
Created by admin on Sat Jun 26 07:55:41 UTC 2021 , Edited by admin on Sat Jun 26 07:55:41 UTC 2021
PRIMARY
FDA UNII
1O0S7ZUF73
Created by admin on Sat Jun 26 07:55:41 UTC 2021 , Edited by admin on Sat Jun 26 07:55:41 UTC 2021
PRIMARY
ECHA (EC/EINECS)
214-643-1
Created by admin on Sat Jun 26 07:55:41 UTC 2021 , Edited by admin on Sat Jun 26 07:55:41 UTC 2021
PRIMARY
MERCK INDEX
M9290
Created by admin on Sat Jun 26 07:55:41 UTC 2021 , Edited by admin on Sat Jun 26 07:55:41 UTC 2021
PRIMARY Merck Index
Related Record Type Details
SALT/SOLVATE -> PARENT