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Home > Products > Pharmaceuticals & Life Science > Pharmaceutical Intermediates > 1-(Benzylmethyl)-3-piperidinyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarbolate
1-(Benzylmethyl)-3-piperidinyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarbolate structure, CAS 91599-74-5

1-(Benzylmethyl)-3-piperidinyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarbolate

CAS Number91599-74-5

SynonymsMFCD06797587; Coniel; Benidipine; benipidine hydrochloride; UNII:4G9T91JS7E; C28H31N3O6.HCl; Benidipene; (+-)-Benidipine hydrochloride; BENIDIPINE HCl; KW 3049; EINECS 1592732-453-0; Benidipine (hydrochloride)

Molecular FormulaC28H32ClN3O6

Molecular Weight542.02

Purity≥98 (HPLC)%

Density1.3±0.1 g/cm3

Boiling Point625.2±55.0 °C at 760 mmHg

Melting Point199-201ºC

Flash Point

Appearancepowder

EINECS

MSDSChineseEnglish

Symbol6.1

Signal WordWarning

Cat. No.: 2A-9000587 Purity: ≥98 (HPLC)%
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Quality Control of [ 91599-74-5 ] Purity: ≥98 (HPLC)% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number91599-74-5
Catalog No.2A-9000587
Chinese Name盐酸贝尼地平
SynonymsMFCD06797587; Coniel; Benidipine; benipidine hydrochloride; UNII:4G9T91JS7E; C28H31N3O6.HCl; Benidipene; (+-)-Benidipine hydrochloride; BENIDIPINE HCl; KW 3049; EINECS 1592732-453-0; Benidipine (hydrochloride)
Molecular FormulaC28H32ClN3O6
Molecular Weight542.02
Purity≥98 (HPLC)
Density1.3±0.1 g/cm3
Boiling Point625.2±55.0 °C at 760 mmHg
Melting Point199-201ºC
Appearancepowder
Storage ConditionVentilated, low-temperature drying, stored separat
ApplicationBenidipine hydrochloride is a dihydropyridine calcium channel blocker used to treat hypertension.
HTC2942000000
PubChem ID329773285
MDL NumberMFCD00906929
SMILESCl.COC(=O)C1=C(C)NC(C)=C([C@@H]1c2cccc(c2)[N+]([O-])=O)C(=O)O[C@@H]3CCCN(C3)Cc4ccccc4
InChI1S/C28H31N3O6.ClH/c1-18-24(27(32)36-3)26(21-11-7-12-22(15-21)31(34)35)25(19(2)29-18)28(33)37-23-13-8-14-30(17-23)16-20-9-5-4-6-10-20;/h4-7,9-12,15,23,26,29H,8,13-14,16-17H2,1-3H3;1H/t23-,26-;/m1./s1
InChI KeyKILKDKRQBYMKQX-MIPPOABVSA-N
NACRES CodeNA.77
UNSPSC12352200
Hazard Symbols6.1
MSDSmsds/587_1_91599_74_5.pdf
BioactivityBenidipine hydrochloride is a dihydropyridine calcium channel blocker for the treatment of high blood pressure (hypertension). Related Catalog Signaling Pathways >> Membrane Transporter/Ion Channel >> Calcium Channel Research Areas >> Cardiovascular Disease Chemical & Physical Properties Density 1.3±0.1 g/cm3 Boiling Point 625.2±55.0 °C at 760 mmHg Melting Point 199-201ºC Molecular Formula C28H32ClN3O6 Molecular Weight 542.02 Flash Point 331.9±31.5 °C PSA 124.28000 LogP 4.92 Appearance of Characters yellow Vapour Pressure 0.0±1.8 mmHg at 25°C Index of Refraction 1.622 InChIKey KILKDKRQBYMKQX-MIPPOABVSA-N SMILES COC(=O)C1=C(C)NC(C)=C(C(=O)OC2CCCN(Cc3ccccc3)C2)C1c1cccc([N+](=O)[O-])c1.Cl
Use ofBenidipine hydrochloride is a dihydropyridine calcium channel blocker for the treatment of high blood pressure (hypertension). Properties Name 5-O-[(3R)-1-benzylpiperidin-3-yl] 3-O-methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate,hydrochloride Synonym More Synonyms Benidipine hydrochloride Biological Activity Description Benidipine hydrochloride is a dihydropyridine calcium channel blocker for the treatment of high blood pressure (hypertension). Related Catalog Signaling Pathways >> Membrane Transporter/Ion Channel >> Calcium Channel Research Areas >> Cardiovascular Disease Chemical & Physical Properties PSA 124.28000 Appearance of Characters yellow Index of Refraction 1.622 InChIKey KILKDKRQBYMKQX-MIPPOABVSA-N
Transport InfoProduct name: Purity: 98.0%
MSDS Transport InfoModule 14. Shipping information 14.1 UN dangerous goods number European Dangerous Regulations for land transport: 2811 International Dangerous Regulations for sea transport: 2811 International Dangerous Regulations for air transport: 2811 14.2 Names specified by the United Nations (UN) European Land Transport Hazardous Regulations: TOXIC SOLID, ORGANIC, N.O.S. (BENIDIPINE HCL) IMDG: TOXIC SOLID, ORGANIC, N.O.S. (BENIDIPINE HCL) International air transport hazard regulations: Toxic solid, organic, n.o.s. (BENIDIPINE HCL) 14.3 Transport hazard categories European Land Transport Danger Regulations: 6.1 International Maritime Transport Danger Regulations: 6.1 International Air Transport Danger Regulations: 6.1 14.4 Package group European Land Transport Danger Regulations: III International Maritime Transport Danger Regulations: III International Air Transport Danger Regulations: III 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available
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