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Application Area
Environmental
Environmental

Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

Clinical diagnostic
Clinical diagnostic

In addition to treating various diseases, isotopes are used for imaging, diagnosis, and newborn screening.

Organic Chemistry
Organic Chemistry

Small molecule compounds labeled with stable isotopes can be used as chemical reference for chemical identification, qualitative, quantitative, detection, etc. Various types of NMR solvents can be used to study the structure, reaction mechanism and reaction kinetics of compounds.

Metabolic Research
Metabolic Research

Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

Barnidipine-[d4] Hydrochloride

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General Information
Catalog: BLP-003394
CAS: 117131-01-8
Molecular Formula: C27H26D4ClN3O6
Molecular Weight: 532.02
Chemical Structure
Barnidipine-[d4] Hydrochloride
Description Barnidipine-[d4] Hydrochloride is a labelled compound of Barnidipine HCl. Barnidipine HCl is 1,4-Dihydropyridine calcium antagonist with antihypertensive and diuretic effects. It is a potential candidate in the treatment of patients with renal parenchymal hypertension.
Synonyms (4S)-1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-Pyridinedicarboxylic Acid 3-Methyl 5-[(3S)-1-(phenylmethyl)-3-(pyrrolidinyl-d4)] Ester Hydrochloride; [S-(R*,R*)]-1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic Acid Methyl 1-(Phenylmethyl)-3-(pyrrolidinyl-d4) Ester Monohydrochloride; YM 09730-5; (S)-3-((S)-1-benzylpyrrolidin-3-yl-2,2,5,5-d4) 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride
IUPAC Name 5-O-[(3S)-1-benzyl-2,2,5,5-tetradeuteriopyrrolidin-3-yl] 3-O-methyl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;hydrochloride
Related CAS 104757-53-1 (unlabelled)
Canonical SMILES 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/i13D2,16D2;
InChI Key XEMPUKIZUCIZEY-PKGTUVDMSA-N
Purity > 98%
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