| SpectraBase Spectrum ID |
LazoeTus89s |
| Name |
Benidipine hydrochloride |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
21607 |
| Lot Number |
0500566-2 |
| CAS Registry Number |
91599-74-5 |
| Cell Type |
NMR tube |
| Compound Type |
Pure |
| Copyright |
Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H32ClN3O6 |
| IUPAC Name |
(4R)-rel-1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid, 3-methyl 5-[(3R)-1-(phenylmethyl)-3-piperidinyl] ester, monohydrochloride |
| InChI |
InChI=1S/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 |
| InChIKey |
KILKDKRQBYMKQX-MIPPOABVSA-N |
| Molecular Weight |
542.032 g/mol |
| Raman Corrections |
Referenced to internal white light source; 180 degree backscatter |
| Raman Laser Power |
550 mW |
| Raman Laser Source |
Nd:YAG |
| SMILES |
N1\C(=C/([C@](c2cccc(c2)N(=O)=O)(\C(=C/1C)C(OC)=O)[H])C(O[C@@]1(CCCN(C1)Cc1ccccc1)[H])=O)C.Cl |
| Scans Performed |
3840 |
| Source of Spectrum |
Forensic Spectral Research |
| Synonyms |
(+/-)-Benidipine hydrochloride; KW-3049 |
| Technique |
FT-Raman |
