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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)

HCID 102009
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Basic information

CAS
1176-03-0
Standard SMILES
COC(=O)[C@@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C.O=C(O)[C@H](O)[C@@H](O)C(=O)O
InChIKey
MRJHQVZNBKASQN-GASYBUPXSA-N
Molecular formula
C21H27NO10
Average molar mass
453.4 g/mol
Monoisotopic mass
453.16349606

Names & identifiers

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

Names & synonyms

Pseudococaine tartratePsicaine1O0S7ZUF731176-03-0RefChem:1074656214-643-18-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)Delcaine tartrated-Cocaine tartrateIsococaine tartratePseudocaine bitartratePseudococaine, tartate
Show more names
Pseudocaine, tartrate (1:1)EINECS 214-643-1UNII-1O0S7ZUF732-alpha-Carbomethoxy-3-beta-benzoxytropane tartratePSEUDOCOCAINE, TARTRATEPSEUDOCOCAINE BITARTRATEDTXSID00922470MRJHQVZNBKASQN-GASYBUPXSA-N

Database identifiers

CAS
1176-03-0
PubChem CID
102009
DTXSID
DTXSID00922470
UNII
1O0S7ZUF73
EC Number
214-643-1

Properties

Computed structural properties

Topological polar surface area
171 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
11
Rotatable bonds
8
Heavy atoms
32
Formal charge
0
Complexity
566

Related reactions

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Compound notes

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