Basic information
- CAS
103434-30-6- Standard SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc([N+](=O)[O-])ccc1OCCCCNCC(O)COc1ccccc1- InChIKey
GQJFGCIETONRNJ-UHFFFAOYSA-N- Molecular formula
- C30H37N3O9
- Average molar mass
- 583.6 g/mol
- Monoisotopic mass
- 583.25297976
Overview
structure given in first source; RN given refers to parent cpd
Names & identifiers
- Preferred name
- YM 16151-1
- IUPAC
- dimethyl 4-[2-[4-[(2-hydroxy-3-phenoxypropyl)amino]butoxy]-5-nitrophenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
- English name
- YM 16151-1
- Molecular formula
- C30H37N3O9
- Molecular weight
- 583.63
Names & synonyms
103434-30-6YM 16151-1YM-16151-4YM 16151YM-16151-1YM-16151RefChem:195663YM-16151-1 freedimethyl 4-[2-[4-[(2-hydroxy-3-phenoxypropyl)amino]butoxy]-5-nitrophenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-(4-((2-hydroxy-3-phenoxypropyl)amino)butoxy)-5-nitrophenyl)-2,6-dimethyl-, dimethyl ester3,5-Pyridinedicarboxylicacid,1,4-dihydro-4-[2-[4-[(2-hydroxy-3-phenoxypropyl)amino]butoxy]-5-nitrophenyl]-2,6-dimethyl-,3,5-dimethyl esterDimethyl 4-(2-(4-(2-hydroxy-3-phenoxypropylamino)butoxyl)-5-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Show more names
YM16151Dimethyl 4-(2-(4-(2-Hydroxy-3-Phenoxypropylamino)butoxyl)-5-Nitrophenyl)-2,6-Dimethyl -1,4-Dihydropyridine-3,5-Dicarboxylate3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-[2-[4-[(2-hydroxy-3-phenoxypropyl)amino]butoxy]-5-nitrophenyl]-2,6-dimethyl-, 3,5-dimethyl ester
DTXSID10908407GQJFGCIETONRNJ-UHFFFAOYSA-NDimethyl 4-(2-{4-[(2-hydroxy-3-phenoxypropyl)amino]butoxy}-5-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylateorb1694737SCHEMBL9689815AKOS040754524T35256L002079
Database identifiers
- CAS
103434-30-6- PubChem CID
- 128387
- DTXSID
DTXSID10908407
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 16
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 949
Physicochemical properties
- Melting point
- 131 · 131-133 °C
- Boiling point
- 752.1 · 752.1±60.0 °C(Predicted)
- Density
- 1.24 · 1.240±0.06 g/cm3(Predicted)
- pka
- 13.98 · 13.98±0.20(Predicted)
Chemistry & industry
Suppliers2 total
HBCChem, Inc.+1-510-219-6317 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
2 records
Compound notes
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