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NF 340

CAT: 0607-B7508-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B7508-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
P2Y11 antagonist
CAS Number
202982-98-7
Product Name Alternative
sodium (Z)-N-(3,7-disulfonaphthalen-1-yl)-4-methyl-3-(((Z)-((2-methyl-5-((Z)-oxido((3-sulfo-7-sulfonatonaphthalen-1-yl)imino)methyl)phenyl)imino)oxidomethyl)amino)benzimidate
Field of Research
GPCR G protein P2Y Receptor
Form
Beige solid
Solubility
<19.74mg/ml in H2O
Smiles
CC1=C(/N=C([O-])/NC2=C(C=CC(/C([O-])=N/C3=C4C=C(S(O)(=O)=O)C=CC4=CC(S(O)(=O)=O)=C3)=C2)C)C=C(/C([O-])=N/C5=C6C=C(S([O-])(=O)=O)C=CC6=CC(S(O)(=O)=O)=C5)C=C1.[Na+].[Na+].[Na+].[Na+]
Molecular Formula
C37H26N4Na4O15S4
Molecular Weight
986.84
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Tetrasodium;4-[[3-[[5-[(3,7-disulfonatonaphthalen-1-yl)carbamoyl]-2-methylphenyl]carbamoylamino]-4-methylbenzoyl]amino]naphthalene-2,6-disulfonate
CAS Number202982-98-7
PubChem CID90488883
IUPAC Nametetrasodium;4-[[3-[[5-[(3,7-disulfonatonaphthalen-1-yl)carbamoyl]-2-methylphenyl]carbamoylamino]-4-methylbenzoyl]amino]naphthalene-2,6-disulfonate
Molecular FormulaC37H26N4Na4O15S4
Molecular Weight986.8
Topological Polar Surface Area362
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count15
Rotatable Bond Count6
Heavy Atom Count64
Formal Charge0
Complexity1850
SMILES
CC1=C(C=C(C=C1)C(=O)NC2=C3C=C(C=CC3=CC(=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)NC4=C(C=CC(=C4)C(=O)NC5=C6C=C(C=CC6=CC(=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])C.[Na+].[Na+].[Na+].[Na+]
InChI
InChI=1S/C37H30N4O15S4.4Na/c1-19-3-5-23(35(42)38-33-17-27(59(51,52)53)11-21-7-9-25(15-29(21)33)57(45,46)47)13-31(19)40-37(44)41-32-14-24(6-4-20(32)2)36(43)39-34-18-28(60(54,55)56)12-22-8-10-26(16-30(22)34)58(48,49)50;;;;/h3-18H,1-2H3,(H,38,42)(H,39,43)(H2,40,41,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;/q;4*+1/p-4
InChIKey
SJMHXBFWMZYDBY-UHFFFAOYSA-J
Chemical Structure
2D Structure
2D structure of Tetrasodium;4-[[3-[[5-[(3,7-disulfonatonaphthalen-1-yl)carbamoyl]-2-methylphenyl]carbamoylamino]-4-methylbenzoyl]amino]naphthalene-2,6-disulfonate
CAS: 202982-98-7
CID: 90488883
Formula: C37H26N4Na4O15S4
MW: 986.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight986.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count15
Rotatable Bond Count6
Exact Mass985.9868280
Monoisotopic Mass985.9868280
Topological Polar Surface Area362 Ų
Heavy Atom Count64
Formal Charge0
Complexity1850
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count5
Compound Is CanonicalizedYes

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