[S,S]-8-benzyl-2,8-diazabicyclo[4.3.0]-nonane L-tartrate

HCID 10981401CAS 151636-47-4
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Basic information

Standard SMILES
O=C(O)[C@H](O)[C@@H](O)C(=O)O.c1ccc(CN2C[C@@H]3CCCN[C@@H]3C2)cc1
InChIKey
QAPHOFIEVHTDAB-QYDSKQJFSA-N
Molecular formula
C18H26N2O6
Average molar mass
366.4 g/mol

Names & identifiers

Preferred name
[S,S]-8-benzyl-2,8-diazabicyclo[4.3.0]-nonane L-tartrate
IUPAC
(4aS,7aS)-6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;(2R,3R)-2,3-dihydroxybutanedioic acid

Names & synonyms

QAPHOFIEVHTDAB-QYDSKQJFSA-N[S,S]-8-benzyl-2,8-diazabicyclo[4.3.0]-nonane L-tartrate

Database identifiers

CAS
151636-47-4
PubChem CID
10981401

Properties

Computed structural properties

Topological polar surface area
130 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
8
Rotatable bonds
5
Heavy atoms
26

Related reactions

1 records
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Linked notes

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