Psicaine

(2R,3R)-2,3-dihydroxybutanedioic acid;methyl (1R,2S,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

Also Known As: Psicaine|Pseudococaine tartrate|Delcaine tartrate|d-Cocaine tartrate|Isococaine tartrate|Pseudocaine bitartrate|Pseudococaine, tartate|Pseudocaine, tartrate (1:1)|PSEUDOCOCAINE, TARTRATE|PSEUDOCOCAINE BITARTRATE|EINECS 214-643-1|PSEUDOCOCAINE TARTRATE [MI]|PSEUDOCOCAINE, TARTRATE (1:1)|2-alpha-Carbomethoxy-3-beta-benzoxytropane tartrate|(1R-(2-endo,3-exo))-3-(Benzoyloxy)-2-(methoxycarbonyl)-8-methyl-8-azoniabicyclo(3.2.1)octane hydrogen (R-(R*,R*))-tartrate|(1R,2S,3S,5S)-3-(BENZOYLOXY)-8-METHYL-8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID METHYL ESTER TARTRATE|(2R,3R)-2,3-Dihydroxybutanedioic acid--methyl (1R,2S,3S,5S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate (1/1)|(2R,3R)-2,3-dihydroxybutanedioic acid; methyl (1S,3S,4S,5R)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate|2,3-Dihydroxybutanedioic acid--methyl 3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate (1/1)|214-643-1|8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, (1R,2S,3S,5S)-, (2R,3R)-2,3-dihydroxybutanedioate|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)

Molecular Formula	C21H27NO10
Molecular Weight	453.16348 g/mol
LogP	-0.25
Topological Polar Surface Area	170.9 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	9
Rotatable Bonds	6
Exact Mass	453.16348
Heavy Atoms	32
Complexity	811.1

Chemical Identifiers

CAS Number	1176-03-0
SMILES	CN1[C@H]2CC[C@@H]1[C@@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)OC.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O