CID 6604472
Basic information
- CAS
69-43-2- Standard SMILES
C[C@@H](Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1.C[C@H](O)C(=O)O- InChIKey
QPOFIDVRLWJICD-XDELLUAHSA-N- Molecular formula
- C27H33NO3
- Average molar mass
- 419.6 g/mol
- Monoisotopic mass
- 419.24604391
Names & identifiers
- Preferred name
- CID 6604472
- IUPAC
- 3,3-diphenyl-N-[(2S)-1-phenylpropan-2-yl]propan-1-amine;(2S)-2-hydroxypropanoic acid
- English name
- N-(3,3-Diphenylpropyl)-alpha-methylphenethylamin lactate salt
- Molecular formula
- C28H35NO2
- Molecular weight
- 417.58
Names & synonyms
CAS-69-43-2NCGC00017014-01CHEMBL1317618Tox21_110737(2S)-2-Hydroxypropanoic acid--3,3-diphenyl-N-[(2S)-1-phenylpropan-2-yl]propan-1-amine (1/1)PRENYLAMINE LACTATEroininagozolincoranirrorinangorminseccidin
Show more names
reocorincorontincrepasin
Database identifiers
- CAS
69-43-2- PubChem CID
- 6604472
- DTXSID
DTXSID5045544- ChEMBL
CHEMBL1317618
Properties
Computed structural properties
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 375
Physicochemical properties
- Melting point
- 140 · 140-142°
- storage temp.
- 2 · 2-8°C
- FDA UNII
- 6 J3J6SXI7V · 6J3J6SXI7V
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36
- RTECS
- 6490000 · SH6490000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- rtecs
- SH6490000
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xn
- safety_code
- 26-36
Chemistry & industry
Applications
UsesVasodilator (coronary).
Suppliers
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Related reactions
0 records
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Compound notes
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