Isradipine EP Impurity B

CAT: 1299-RM-I191802-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-I191802-01Size:10 mg

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CAS Number

1352916-15-4

Synonyms

Diisopropyl 4- (benzo[c][1,2,5]oxadiazol-4-yl) -2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Molecular Formula

C21H25N3O5

Molecular Weight

399.44

Target Alternative Name

Isradipine

Product Name Synonym

Diisopropyl 4- (benzo[c][1,2,5]oxadiazol-4-yl) -2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Chemical Information

Isradipine EP Impurity B

CAS Number	1352916-15-4
PubChem CID	58678584
IUPAC Name	dipropan-2-yl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Molecular Formula	C21H25N3O5
Molecular Weight	399.4
XLogP	5.1
Topological Polar Surface Area	104
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Heavy Atom Count	29
Formal Charge	0
Complexity	684

SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC=CC3=NON=C32)C(=O)OC(C)C

InChI

InChI=1S/C21H25N3O5/c1-10(2)27-20(25)16-12(5)22-13(6)17(21(26)28-11(3)4)18(16)14-8-7-9-15-19(14)24-29-23-15/h7-11,18,22H,1-6H3

InChIKey

SKQSFQRPVQIHLU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1352916-15-4

CID: 58678584

Formula: C21H25N3O5

MW: 399.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	399.4
XLogP3	5.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	399.17942091
Monoisotopic Mass	399.17942091
Topological Polar Surface Area	104 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	684
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-I191806-01	Isradipine EP Impurity A
RM-I191804-01	Isradipine EP Impurity D
RM-I191803-01	Isradipine EP Impurity C
RM-I191805-01	Isradipine Impurity 5
RM-I140401-01	Indometacin EP Impurity A; Bezafibrate EP Impurity B; Acemetacin EP Impurity A; Clopamide EP Impurity B
RM-C061202-01	Cefalexin EP Impurity B; Cefadroxil EP Impurity B; Cefradine EP Impurity A
RM-O132302-01	Omeprazole EP Impurity B; Esomeprazole EP Impurity B
RM-T081502-01	Theophylline EP Impurity B; Pentoxifylline EP Impurity B
RM-C201212-01	Citalopram EP Impurity B; Escitalopram EP Impurity B
RG-C180501-01	Amylmetacresol EP Impurity B; Metacresol EP Impurity B

Catalog	Name
AR-I01935-01	Isradipine EP Impurity A
AR-I04179-01	Isradipine Impurity 1
AR-I01936-01	Isradipine EP Impurity C
AR-I01938-01	Isradipine EP Impurity B
AR-I04180-01	Isradipine EP Impurity D HCl (Isradipine USP Related Compound A HCl, Dehydro Isradipine HCl)
AR-I01937-01	Isradipine EP Impurity E (Z-isomer)
HY-B0233-01	Isradipine