Dehydro Isradipine

CAT: 0024-sc-211223Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-211223Size:2 mg

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CAS Number

116169-18-7

Chemical Information

Dehydro Isradipine

CAS Number	116169-18-7
PubChem CID	10406778
IUPAC Name	5-O-methyl 3-O-propan-2-yl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethylpyridine-3,5-dicarboxylate
Molecular Formula	C19H19N3O5
Molecular Weight	369.4
XLogP	3
Topological Polar Surface Area	104
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Heavy Atom Count	27
Formal Charge	0
Complexity	557

SMILES

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

InChI

InChI=1S/C19H19N3O5/c1-9(2)26-19(24)15-11(4)20-10(3)14(18(23)25-5)16(15)12-7-6-8-13-17(12)22-27-21-13/h6-9H,1-5H3

InChIKey

XXUCEEUFISNYCI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 116169-18-7

CID: 10406778

Formula: C19H19N3O5

MW: 369.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	369.4
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	369.13247072
Monoisotopic Mass	369.13247072
Topological Polar Surface Area	104 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	557
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
sc-201467	Isradipine
sc-201467A	Isradipine
sc-500713	Demethyl Isradipine
sc-280868	Isradipine Lactone
sc-280869	Isradipine-d3
sc-500258	Demethyl Propionitrile Isradipine
sc-500193	Dehydro Lercanidipine
sc-207513	Dehydro Felodipine
sc-499665	Dehydro Phenylalanine
sc-207515	Dehydro Nisoldipine

Catalog	Name
007803	Dehydro Isradipine
271333-01	Dehydro isradipine lactone
AR-I04180-01	Isradipine EP Impurity D HCl (Isradipine USP Related Compound A HCl, Dehydro Isradipine HCl)
255534-01	Isradipine