Barnidipine HCl | CAS No. 104757-53-1

Barnidipine HCl

Basic Information

CAS Number

104757-53-1

Molecular Formula

C27H30ClN3O6

Molecular Weight

528 g/mol

AD

Basic Physical Properties

Melting Point

225-232°C

Boiling Point

614.5°C at 760 mmHg

Flash Point

325.4 °C

Specific Rotation

+116 ~ +120° (c=1, MeOH)

CC1=C(C(C(=C(N1)C)C(=O)OC2CCN(C2)CC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC.Cl

InChI

InChI=1S/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

InChIKey

XEMPUKIZUCIZEY-YSCHMLPRSA-N

LogP

5.41220

Complexity

917

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Toxicity

LD50 orally in male, female rats: 105, 113 mg/kg (Satoh)

Synonyms & References

English

  • XEMPUKIZUCIZEY-YSCHMLPRSA-N
  • LY198561
  • CHEMBL2356712
  • Cyress
  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl 1-(phenylmethyl)-3-pyrrolidinyl ester, hydrochloride, (S-(R*,R*))-
  • MFCD00915772
  • SCHEMBL347963
  • J-001245
  • Hypoca (TN)
  • BDBM50226128
  • LY-198561
  • Q27268545
  • 5-O-[(3S)-1-benzylpyrrolidin-3-yl] 3-O-methyl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;hydrochloride
  • YM-730
  • CS-0028139
  • YM 09730-5
  • barnidipine hydrochloride
  • Tox21_113010
  • (S-(R*,R*))-Methyl 1-(phenylmethyl)-3-pyrrolidinyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate
  • 104757-53-1
  • DTXCID5028580
  • (+)-(3'S,4S)-1-BENZYL-3-PYRROLIDINYL METHYL 1,4-DIHYDRO-2,6-DIMETHYL-4-(M-NITROPHENYL)-3,5-PYRIDINEDICARBOXYLATE HYDROCHLORIDE
  • Mepirodipine hydrochloride
  • barnidipinehydrochloride
  • BARNIDIPINE HYDROCHLORIDE [MART.]
  • EU-730
  • CAS-104757-53-1
  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl 1-(phenylmethyl)-3-pyrrolidinyl ester, monohydrochloride, (S-(R*,R*))-
  • CHEBI:31253
  • 3-((S)-1-benzylpyrrolidin-3-yl) 5-methyl (S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride
  • D01104

MDL Number

MFCD18409830

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