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DM-Nitrophen tertasodium

CAT: 0013-GTR19218501-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19218501-01Size:5 mg
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Description
DM-Nitrophen tetrasodium is a photolabile "caged" calcium compound that releases Ca2+ ions upon exposure to near-UV light. This tool is widely used in cell biology and neuroscience for precise, spatially controlled studies of intracellular calcium signaling in both in vitro and in vivo experimental systems.
CAS Number
291517-40-3
Smiles
O=C (CN (CC (N (CC ([O-]) =O) CC ([O-]) =O) C1=CC (OC) =C (C=C1[N+] ([O-]) =O) OC) CC ([O-]) =O) [O-].[Na+].[Na+].[Na+].[Na+]
Molecular Formula
C18H19N3Na4O12
Molecular Weight
561.32
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tetrasodium;2-[[2-[bis(carboxylatomethyl)amino]-2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-(carboxylatomethyl)amino]acetate
CAS Number291517-40-3
PubChem CID6093156
IUPAC Nametetrasodium;2-[[2-[bis(carboxylatomethyl)amino]-2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-(carboxylatomethyl)amino]acetate
Molecular FormulaC18H19N3Na4O12
Molecular Weight561.3
Topological Polar Surface Area231
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count14
Rotatable Bond Count10
Heavy Atom Count37
Formal Charge0
Complexity673
SMILES
COC1=C(C=C(C(=C1)C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-])[N+](=O)[O-])OC.[Na+].[Na+].[Na+].[Na+]
InChI
InChI=1S/C18H23N3O12.4Na/c1-32-13-3-10(11(21(30)31)4-14(13)33-2)12(20(8-17(26)27)9-18(28)29)5-19(6-15(22)23)7-16(24)25;;;;/h3-4,12H,5-9H2,1-2H3,(H,22,23)(H,24,25)(H,26,27)(H,28,29);;;;/q;4*+1/p-4
InChIKey
KCTLZBKLHCBAMY-UHFFFAOYSA-J
Chemical Structure
2D Structure
2D structure of Tetrasodium;2-[[2-[bis(carboxylatomethyl)amino]-2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-(carboxylatomethyl)amino]acetate
CAS: 291517-40-3
CID: 6093156
Formula: C18H19N3Na4O12
MW: 561.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight561.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count14
Rotatable Bond Count10
Exact Mass561.05595018
Monoisotopic Mass561.05595018
Topological Polar Surface Area231 Ų
Heavy Atom Count37
Formal Charge0
Complexity673
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count5
Compound Is CanonicalizedYes

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