Basic information
- CAS
119934-51-9- Standard SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1.Cl- InChIKey
MHOSUIMBPQVOEU-UHFFFAOYSA-N- Molecular formula
- C36H40ClN3O6
- Average molar mass
- 646.2 g/mol
- Monoisotopic mass
- 645.26056368
Names & identifiers
- Preferred name
- Niguldipine hydrochloride, (+/-)-
- IUPAC
- 5-O-[3-(4,4-diphenylpiperidin-1-yl)propyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;hydrochloride
- English name
- Niguldipine (hydrochloride)
- Molecular formula
- C36H40ClN3O6
- Molecular weight
- 646.18
Names & synonyms
119934-51-9113317-61-6Niguldipine (hydrochloride)(+/-)-NIGULDIPINE HYDROCHLORIDENiguldipine hydrochloride, (+/-)-Dexniquldipine HClNSC-6175535QC11TLQ7K134886-09-25-O-[3-(4,4-diphenylpiperidin-1-yl)propyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;hydrochlorideB-844-39NSC617553
Show more names
Niguldipine HCl(±)-Niguldipine hydrochlorideNiguldipine Hydrochloride DISCONTINUED PLEASE SEE N598530
(+/-) -Niguldipine hydrochloride (1:x)DSSTox_CID_26318DSSTox_RID_81534DSSTox_GSID_463183,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-(3-(4,4-diphenyl-1-piperidinyl)propyl) 5-methyl ester, hydrochloride (1:1)3-(3-(4,4-Diphenylpiperidin-1-yl)propyl) 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrochlorideCAS-102992-93-8UNII-5QC11TLQ7K
Database identifiers
- CAS
119934-51-9- PubChem CID
- 357904
- DTXSID
DTXSID20872307- UNII
- 5QC11TLQ7K
Properties
Computed structural properties
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,100
Physicochemical properties
- storage temp.
- RT
- solubility
- Soluble in DMSO (up to 25 mg/ml) or in Methanol (up to 25 mg/ml).
- form
- Yellow crystalline solid.
- color
- White
- Stability
- 1 year · Stable for 1 year from date of purchase as supplied. Solutions in DMSO or methanol may be stored at -20°C for up to 3 months.
- FDA UNII
- 5 QC11TLQ7K · 5QC11TLQ7K
Chemistry & industry
Applications
DescriptionNiguldipine HCl (119934-51-9) is an L-type calcium channel blocker (IC50 = 75 nM), which can also inhibit T-type calcium channels at higher concentrations (IC50 = 244 nM). Novel inhibitor of drug transport by p-glycoprotein.
UsesNiguldipine Hydrochloride is a selective α 1-adrenoceptor antagonist. Also, it is a new calcium antagonist.
Suppliers3 total
BOC Sciences16314854226; +8616314854226 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
ChemeGen 中国18818260767 · [email protected]
Related reactions
2 records
Compound notes
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