Products for Research Use Only
RegisterLogin

(3R,4S)-Benidipine

CAT: 0572-TRC-M414460-100MGSize: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-M414460-100MGSize:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
105979-18-8
Synonyms
rel-3-Methyl 5-[(3R)-1-(phenylmethyl)-3-piperidinyl] (4S)-1,4-di hydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate; (R*,S*)-(±)-,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl 1-(phenylmethyl)-3-piperidinyl Ester 3,5-Pyridinedicarboxylic Acid; (R*,S*)-Methyl 1-(phenylmethyl)-3-piperidinyl Ester 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl) 3,5-Pyridinedicarboxylic Acid
Hazard Statement
No Data Available
Smiles
O=C(C([C@@H](C1=CC([N](=O)=O)=CC=C1)C(C(OC)=O)=C(C)N2)=C2C)O[C@H](CCC3)CN3CC4=CC=CC=C4
Molecular Formula
C28H31N3O6
Molecular Weight
505.57
InChI
InChI=1S/C28H31N3O6/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/t23-,26+/m1/s1
Additionnal Information
IUPAC name: 3-((R)-1-benzylpiperidin-3-yl) 5-methyl (S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Shipping Conditions
Room Temperature

Chemical Information

Benidipine Impurity 67
CAS Number105979-18-8
PubChem CID176475521
IUPAC Name5-O-[(3R)-1-benzylpiperidin-3-yl] 3-O-methyl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;5-O-[(3S)-1-benzylpiperidin-3-yl] 3-O-methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Molecular FormulaC56H62N6O12
Molecular Weight1011.1
Topological Polar Surface Area227
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count16
Rotatable Bond Count16
Heavy Atom Count74
Formal Charge0
Complexity933
SMILES
CC1=C([C@H](C(=C(N1)C)C(=O)O[C@H]2CCCN(C2)CC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC.CC1=C([C@@H](C(=C(N1)C)C(=O)O[C@@H]2CCCN(C2)CC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC
InChI
InChI=1S/2C28H31N3O6/c2*1-18-24(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/h2*4-7,9-12,15,23,26,29H,8,13-14,16-17H2,1-3H3/t2*23-,26+/m10/s1
InChIKey
BWFZUOAWBUVTRV-CIQNAWFASA-N
Chemical Structure
2D Structure
2D structure of Benidipine Impurity 67
CAS: 105979-18-8
CID: 176475521
Formula: C56H62N6O12
MW: 1011.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1011.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count16
Rotatable Bond Count16
Exact Mass1010.44257143
Monoisotopic Mass1010.44257143
Topological Polar Surface Area227 Ų
Heavy Atom Count74
Formal Charge0
Complexity933
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Related Products

CatalogName
TRC-T528000-2.5MG(3R,4S)-Tofacitinib
TRC-T528000-1MG(3R,4S)-Tofacitinib
TRC-T528000-10MG(3R,4S)-Tofacitinib
TRC-O178670-100MG(3R,4S,5S)-Oseltamivir
TRC-T528002-50MG(3R,4S)-Tofacitinib-d3
TRC-C234550-100MG(2S,3R,4S,5R) Citicoline
TRC-D289935-10MG(3’S,3R,4S)-Desfluoro Ezetimibe
TRC-D289935-100MG(3’S,3R,4S)-Desfluoro Ezetimibe
TRC-D229465-250MGDehydro Benidipine
B157495(+)-α-Benidipine Hydrochloride

Alternative Products

CatalogName
AR-B01162-01(3R,4'S) -Benidipine HCl
C03673-1g(3R,4S) -Tofacitinib
T13426-01(3R,4S)-Tofacitinib
427980-01(-) -[3R,4S]-Chromanol 293B
B6753-50(-)-[3R,4S]-Chromanol 293B
CS-T-96145(3R,4S) -Tofacitinib-D3
CS-O-39729(3R,4S) -​Tofacitinib citirate
HY-Z1430S-01(3R,4S) -Paroxetine-d4 (hydrochloride)
T2P2919-01(2S,3R,4S) -4-Hydroxyisoleucine
OR1075315Fmoc-Sta (3R,4S) -OH

Popular Products