Basic information
- CAS
107071-66-9- Standard SMILES
O=C(CCCCCCCCc1cccnc1)N1CCC(C=C(c2ccccc2)c2ccccc2)CC1- InChIKey
NHKWRRHZTGQJMT-UHFFFAOYSA-N- Molecular formula
- C33H40N2O
- Average molar mass
- 480.7 g/mol
- Monoisotopic mass
- 480.3140639
Overview
drug under development for treatment of metabolic diseases; structure given in first source
Names & identifiers
- Preferred name
- Ro 23-7637
- IUPAC
- 1-[4-(2,2-diphenylethenyl)piperidin-1-yl]-9-pyridin-3-ylnonan-1-one
- English name
- Ro 23-7637
- Molecular formula
- C33H40N2O
- Molecular weight
- 480.692
Names & synonyms
Ro 23-7637107071-66-9Ro-23-7637DTXSID90485122MTP38W8M7DTXCID2028486RefChem:1796474-(2,2-Diphenylethenyl)-1-(1-oxo-9-(3-pyridinyl)nonyl)piperidine4-(2,2-Diphenylethenyl)-1-(1-oxo-9-(pyridinyl)nonyl)piperidine1-[4-(2,2-diphenylethenyl)piperidin-1-yl]-9-pyridin-3-ylnonan-1-oneUNII-2MTP38W8M74-(2,2-diphenylethenyl)-1-[1-oxo-9-(3-pyridinyl)nonyl]piperidine
Show more names
Ro 237637,Ro 23 7637
NHKWRRHZTGQJMT-UHFFFAOYSA-N1-Nonanone,1-[4-(2,2-diphenylethenyl)-1-piperidinyl]-9-(3-pyridinyl)-orb1699493SCHEMBL7522598CHEMBL3182737Tox21_303576AKOS040749328NCGC00257340-01
Database identifiers
- CAS
107071-66-9- PubChem CID
- 129491
- DTXSID
DTXSID9048512- ChEMBL
CHEMBL3182737- UNII
- 2MTP38W8M7
- Nikkaji
Properties
Computed structural properties
- XLogP
- 8.4
- Topological polar surface area
- 33.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 618
Experimental & physicochemical properties
Collision Cross Section242.7 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID9048512]
Physicochemical properties
- FDA UNII
- 2 MTP38W8M7 · 2MTP38W8M7
Chemistry & industry
Applications
UsesRo 23-7637 is an orally active, efficacious antiobesity agent[1].
Suppliers4 total
海南瀚海致远生物科技有限公司18171012772 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [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
4 records
Compound notes
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