Su 10603
Basic information
- CAS
786-97-0- Standard SMILES
O=C1c2cc(Cl)ccc2CCC1c1cccnc1- InChIKey
RCBZARSYIFQZOX-UHFFFAOYSA-N- Molecular formula
- C15H12ClNO
- Average molar mass
- 257.71 g/mol
- Monoisotopic mass
- 257.0607417
Overview
17-OH-steroid hydroxylase antagonist; RN given refers to parent cpd
Names & identifiers
- Preferred name
- Su 10603
- IUPAC
- 7-chloro-2-pyridin-3-yl-3,4-dihydro-2H-naphthalen-1-one
- English name
- SU 10603
- Molecular formula
- C15H12ClNO
- Molecular weight
- 257.71
Names & synonyms
786-97-0SU 106031(2H)-Naphthalenone, 7-chloro-3,4-dihydro-2-(3-pyridinyl)-SU-10603RefChem:1861847-Chloro-2-(pyridin-3-yl)-3,4-dihydronaphthalen-1(2H)-one7-Chloro-3,4-dihydro-2-(3-pyridyl)-1(2H)-naphthalenone7-chloro-2-pyridin-3-yl-3,4-dihydro-2H-naphthalen-1-one7-chloro-2-(pyridin-3-yl)-1,2,3,4-tetrahydronaphthalen-1-oneBRN 1537666SU-10,6031(2H)-Naphthalenone, 3,4-dihydro-7-chloro-2-(3-pyridyl)-
Show more names
7-chloro-2-pyridin-3-yl-tetralin-1-one
UPH5HN39TE5-21-09-00064 (Beilstein Handbook Reference)orb1699224CHEMBL5413242SCHEMBL30017635DTXSID80999882GLXC-27397AAA78697
Database identifiers
- CAS
786-97-0- PubChem CID
- 13083
- DTXSID
DTXSID80999882- ChEMBL
CHEMBL5413242- UNII
- UPH5HN39TE
- Nikkaji
- J58.188G
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 320
Physicochemical properties
- Melting point
- 95 · 95-96 °C
- Boiling point
- 430.1 · 430.1±45.0 °C(Predicted)
- Density
- 1.275 · 1.275±0.06 g/cm3(Predicted)
- pka
- 4.6 · 4.60±0.12(Predicted)
Chemistry & industry
Applications
DescriptionSU 10603 is a 17-OH-steroid hydroxylase antagonist.
UsesSU 10603 is a specific inhibitor of P45017α (P450c17; CYP17A1)[1].
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Compound notes
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