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VULM 993

CAT: 0013-GTR19210301-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210301-03Size:100 mg
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Description
VULM 993 is a research compound that functions as a calcium channel blocker. It is utilized in pharmacological studies, particularly in cardiovascular research, to investigate calcium signaling pathways in both in vitro cellular assays and in vivo animal models of hypertension and vasodilation.
CAS Number
155506-70-0
Smiles
C (OCC1OC2 (OC1) CCCC2) (=O) C=3C (C (C (OCC) =O) =C (C) NC3C) C4=CC (Cl) =CC=C4
Molecular Formula
C25H30ClNO6
Molecular Weight
475.96
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Vulm-993

a calcium antagonist; a high tolerance in all species of experimental animals, and no biologically mutagenic potential was recorded

CAS Number155506-70-0
PubChem CID154682
IUPAC Name5-O-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl) 3-O-ethyl 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Molecular FormulaC25H30ClNO6
Molecular Weight476.0
XLogP4.3
Topological Polar Surface Area83.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count33
Formal Charge0
Complexity831
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)Cl)C(=O)OCC3COC4(O3)CCCC4)C)C
InChI
InChI=1S/C25H30ClNO6/c1-4-30-23(28)20-15(2)27-16(3)21(22(20)17-8-7-9-18(26)12-17)24(29)31-13-19-14-32-25(33-19)10-5-6-11-25/h7-9,12,19,22,27H,4-6,10-11,13-14H2,1-3H3
InChIKey
GDMNURLVWVGYHR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Vulm-993
CAS: 155506-70-0
CID: 154682
Formula: C25H30ClNO6
MW: 476.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight476.0
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass475.1761654
Monoisotopic Mass475.1761654
Topological Polar Surface Area83.1 Ų
Heavy Atom Count33
Formal Charge0
Complexity831
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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