Basic information
- CAS
65222-35-7- Standard SMILES
CCN(CC)CCCNc1nccc2c(C)c3[nH]c4ccncc4c3cc12- InChIKey
LPHSYQSMAGVYNT-UHFFFAOYSA-N- Molecular formula
- C22H27N5
- Average molar mass
- 361.5 g/mol
- Monoisotopic mass
- 361.22664588
Overview
Pazelliptine is a small molecule drug. Pazelliptine has a monoisotopic molecular weight of 361.23 Da.
Names & identifiers
- Preferred name
- Pazelliptine
- IUPAC
- N',N'-diethyl-N-(2-methyl-6,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-7-yl)propane-1,3-diamine
- English name
- N,N-diethyl-N'-(6-methyl-5H-pyrido[3',4':4,5]pyrrolo[2,3-g]isoquinolin-10-yl)propane-1,3-diamine
- Molecular formula
- C22H27N5
- Molecular weight
- 361.48
Names & synonyms
Pazelliptine65222-35-7PazellipticinePazeliptinaPazelliptinumBD-402CSP4U82HKNSC-303565NSC303565SR 95225SR-9522510-((3-(Diethylamino)propyl)amino)-6-methyl-5H-pyrido(3',4':4,5)pyrrolo(2,3-g)isoquinoline
Show more names
10-[3-(Diethylamino)propylamino]-6-methyl-5H-pyrido[3',4':4,5]pyrrolo[2,3-g]isoquinolineN-[3-(Diethylamino)propyl]-6-methyl-5H-pyrido[3',4':4,5]pyrrolo[2,3-g]isoquinoline-10-amineN,N-Diethyl-N'-(6-methyl-5H-pyrido[3',4':4,5]pyrrolo[2,3-g]isoquinolin-10-yl)-1,3-propanediamineN,N-diethyl-N'-(6-methyl-5H-pyrido[3',4':4,5]pyrrolo[2,3-g]isoquinolin-10-yl)propane-1,3-diamine1,3-Propanediamine, N1,N1-diethyl-N3-(6-methyl-5H-pyrido[3',4':4,5]pyrrolo[2,3-g]isoquinolin-10-yl)-
1-gamma-diethylaminopropylamino-5-methyl-dipyrido (4,3-b)(3,4-f)indoleDAPA-PPIRefChem:92864010-(3-diethylaminopropylamino)-6-methyl-5H-pyrido(3',4'-4,5)pyrrolo(2,3-g)isoquinolineN,N-diethyl-N'-(6-methyl-5H-pyrido(3',4'-4,5)pyrrolo(2,3-g)isoquinolin-10-yl)-1,3-propanediamine265-640-7Pazelliptine [INN]1,3-Propanediamine, N,N-diethyl-N'-(6-methyl-5H-pyrido(3',4':4,5)pyrrolo(2,3-g)isoquinolin-10-yl)-
Database identifiers
- CAS
65222-35-7- PubChem CID
- 68853
- DTXSID
DTXSID00867130- ChEMBL
CHEMBL40124- UNII
- 2CSP4U82HK
- EC Number
- 265-640-7
- Nikkaji
- J34.362E
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 468
Physicochemical properties
- Boiling point
- 615.2 · 615.2±55.0 °C(Predicted)
- Density
- 1.21 · 1.210±0.06 g/cm3(Predicted)
- pka
- 14.84 · 14.84±0.50(Predicted)
- FDA UNII
- 2 CSP4U82HK · 2CSP4U82HK
Chemistry & industry
Suppliers3 total
LGM Pharma1-(800)-881-8210 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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