Azelnidipine

C₃₃H₃₄N₄O₆CAS 123524-52-7582.66 g/mol

Open in Covalent MOL file

Alkene Ester Nitro Primary amine Secondary amine Tertiary amine

Properties

Molecular formula: C₃₃H₃₄N₄O₆
Molar mass: 582.66 g/mol
Exact mass: 582.2478 Da
Melting point: 95–98 °C
logP: 4.69Crippen estimate
Polar surface area: 137.0 Å²
H-bond donors / acceptors: 2 / 9
Rotatable bonds: 9

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H318 Causes serious eye damage95.1% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, P501

Identifiers

CAS number

123524-52-7

SMILES

CC1=C(C(=O)OC(C)C)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OC2CN(C(c3ccccc3)c3ccccc3)C2)=C(N)N1

InChIKey

ZKFQEACEUNWPMT-UHFFFAOYSA-N

InChI

InChI=1S/C33H34N4O6/c1-20(2)42-32(38)27-21(3)35-31(34)29(28(27)24-15-10-16-25(17-24)37(40)41)33(39)43-26-18-36(19-26)30(22-11-6-4-7-12-22)23-13-8-5-9-14-23/h4-17,20,26,28,30,35H,18-19,34H2,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names

2-Amino-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid 3-(1-diphenylmethylazetidin-3-yl) 5-isopropyl ester
3,5-Pyridinedicarboxylic acid, 2-amino-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-, 3-[1-(diphenylmethyl)-3-azetidinyl] 5-(1-methylethyl) ester
3,5-Pyridinedicarboxylic acid, 2-amino-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-, 3-[1-(diphenylmethyl)-3-azetidinyl] 5-(1-methylethyl) ester, (±)-
CS 905
3-[1-(Diphenylmethyl)-3-azetidinyl] 5-isopropyl (±)-2-amino-1,4-dihydro-6-methyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylate
Calblock
3-O-(1-Benzhydrylazetidin-3-yl) 5-O-propan-2-yl 2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Work with Azelnidipine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Nimodipine66085-59-461 % similar Nilvadipine75530-68-659 % similar Barnidipine104713-75-956 % similar Benidipine105979-17-755 % similar Manidipine120092-68-455 % similar Manidipine89226-50-655 % similar Barnidipine hydrochloride104757-53-155 % similar Benidipine hydrochloride91599-74-553 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook