Basic information
- CAS
23247-48-5- Standard SMILES
O=C(O)CC(O)(CC(=O)O)C(=O)O.c1ccc(C2CC(N3CCCC3)CC(c3ccccc3)C2c2ccccn2)cc1- InChIKey
ZZMNFTXEFGZAOA-UHFFFAOYSA-N- Molecular formula
- C33H38N2O7
- Average molar mass
- 574.7 g/mol
- Monoisotopic mass
- 574.26790156
Names & identifiers
- Preferred name
- SU-15049 citrate
- IUPAC
- 2-(2,6-diphenyl-4-pyrrolidin-1-ylcyclohexyl)pyridine;2-hydroxypropane-1,2,3-tricarboxylic acid
Names & synonyms
SU-15049 citrateL53MX76TCU2-(2,6-DIPHENYL-4-(1-PYRROLIDINYL)CYCLOHEXYL)PYRIDINE CITRATE23247-48-5RefChem:93232461361-38-4SU 15049APyridine, 2-(2,6-diphenyl-4-(1-pyrrolidinyl)cyclohexyl)-, 2-hydroxy-1,2,3-propanetricarboxylate2-(2,6-diphenyl-4-pyrrolidin-1-ylcyclohexyl)pyridine;2-hydroxypropane-1,2,3-tricarboxylic acidSU-15049AUNII-L53MX76TCUorb1699223
Show more names
DTXSID70976889AKOS040749572T288722-Hydroxypropane-1,2,3-tricarboxylic acid--2-[2~5~-(pyrrolidin-1-yl)-2~1~,2~2~,2~3~,2~4~,2~5~,2~6~-hexahydro[1~1~,2~1~:2~3~,3~1~-terphenyl]-2~2~-yl]pyridine (1/1)PYRIDINE, 2-(2,6-DIPHENYL-4-(1-PYRROLIDINYL)CYCLOHEXYL)-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (1:1)
Database identifiers
- CAS
23247-48-5、61361-38-4- PubChem CID
- 3045978
- DTXSID
DTXSID70976889- UNII
- L53MX76TCU
Properties
Computed structural properties
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 686
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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