3,5-Pyridinedicarboxylicacid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-methyl5-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl] ester, hydrochloride (1:1), (4S)-

The IUPAC name of Barnidipine hydrochloride is 5-O-[(3S)-1-benzylpyrrolidin-3-yl] 3-O-methyl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride. With the CAS registry number 104757-53-1, it is also named as Mepirodipine hydrochloride. The product's classification codes are Calcium Channel Blockers; Drug / Therapeutic Agent; Reproductive Effect. It can be used as calcium antagonist. And it can be used for the treatment of hypertension and renal hypertension. In addition, its molecular formula is C₂₇H₂₉N₃O₆^.HCl and molecular weight is 528.00.

The other characteristics of Barnidipine hydrochloride can be summarized as: (1)ACD/LogP: 4.36; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 9; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 9; (6)Rotatable Bond Count: 8; (7)Tautomer Count: 5; (8)Exact Mass: 527.182313; (9)MonoIsotopic Mass: 527.182313; (10)Topological Polar Surface Area: 114; (11)Heavy Atom Count: 37; (12)Complexity: 917; (13)Polar Surface Area: 104.9 Å²; (14)Flash Point: 325.4 °C; (15)Melting Point: 137-139 °C; (16)Enthalpy of Vaporization: 91.18 kJ/mol; (17)Boiling Point: 614.5 °C at 760 mmHg; (18)Vapour Pressure: 4.94E-15 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: Cl.[O-][N+](=O)c1cccc(c1)[C@H]4C(/C(=O)OC)=C(\N\C(=C4\C(=O)O[C@H]3CCN(Cc2ccccc2)C3)C)C
(2)InChI: InChI=1/C27H29N3O6.ClH/c1-17-23(26(31)35-3)25(20-10-7-11-21(14-20)30(33)34)24(18(2)28-17)27(32)36-22-12-13-29(16-22)15-19-8-5-4-6-9-19;/h4-11,14,22,25,28H,12-13,15-16H2,1-3H3;1H/t22-,25-;/m0./s1
(3)InChIKey: XEMPUKIZUCIZEY-YSCHMLPRBK 

The toxicity data is as follows: