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CD-349

CAT: 0013-GTR19197938-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197938-01Size:25 mg
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Description
CD-349 is a calcium channel blocker that potently inhibits noradrenaline-induced aortic contraction even in calcium-free conditions. This small molecule is a valuable research tool for studying vascular smooth muscle physiology and calcium signaling mechanisms in both in vitro and ex vivo experimental models.
CAS Number
88594-08-5
Smiles
C (OCC (ON (=O) =O) C) (=O) C=1C (C (C (OCCCON (=O) =O) =O) =C (C) NC1C) C2=CC (N (=O) =O) =CC=C2
Molecular Formula
C21H24N4O12
Molecular Weight
524.43
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CD 349

structure given in first source

CAS Number88594-08-5
PubChem CID119325
IUPAC Name5-O-(2-nitrooxypropyl) 3-O-(3-nitrooxypropyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Molecular FormulaC21H24N4O12
Molecular Weight524.4
XLogP3.8
Topological Polar Surface Area221
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count13
Rotatable Bond Count12
Heavy Atom Count37
Formal Charge0
Complexity962
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OCC(C)O[N+](=O)[O-])C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCCO[N+](=O)[O-]
InChI
InChI=1S/C21H24N4O12/c1-12(37-25(32)33)11-35-21(27)18-14(3)22-13(2)17(20(26)34-8-5-9-36-24(30)31)19(18)15-6-4-7-16(10-15)23(28)29/h4,6-7,10,12,19,22H,5,8-9,11H2,1-3H3
InChIKey
QSTCLWROWBZZLA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CD 349
CAS: 88594-08-5
CID: 119325
Formula: C21H24N4O12
MW: 524.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight524.4
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count13
Rotatable Bond Count12
Exact Mass524.13907221
Monoisotopic Mass524.13907221
Topological Polar Surface Area221 Ų
Heavy Atom Count37
Formal Charge0
Complexity962
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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