Bucladesine sodium salt CAS NO.16980-89-5

The IUPAC name of Adenosine,N-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate, sodium salt(1:1) is sodium [(4aR,6R,7R,7aR)-6-[6-(butanoylamino)purin-9-yl]-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate. With the CAS registry number 16980-89-5 and EINECS 241-059-4, it is also named as Bucladesine sodium salt. The product's category is Cyclic Nucleotide Related. It is colorless or white crystalline powder which should be stored at the temperature of -20 °C.

The other characteristics of this product can be summarized as: (1)#H bond acceptors: 13; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 7; (4)Polar Surface Area: 165.01 2; (5)Rotatable Bond Count: 8; (6)Tautomer Count: 4; (7)Exact Mass: 491.118194; (8)MonoIsotopic Mass: 491.118194; (9)Topological Polar Surface Area: 167; (10)Heavy Atom Count: 33; (11)Formal Charge: 0; (12)Complexity: 765; (13)Isotope Atom Count: 0; (14)Defined Atom StereoCenter Count: 4; (15)Covalently-Bonded Unit Count: 2.

Uses of Adenosine,N-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate, sodium salt(1:1): It is a cyclic nucleotide derivative that mimics the action of endogenous Cyclic AMP and is capable of permeating the cell membrane. It has vasodilator properties and is used as a cardiac stimulant.

People can use the following data to convert to the molecule structure.
1. Smiles:[C@@H]1([C@@H]([C@H]2[C@H](O1)COP(=O)(O2)[O-])OC(=O)CCC)n1c2c(nc1)c(ncn2)NC(=O)CCC.[Na+]
2. InChI:InChI=1S/C18H24N5O8P.Na/c1-3-5-11(24)22-16-13-17(20-8-19-16)23(9-21-13)18-15(30-12(25)6-4-2)14-10(29-18)7-28-32(26,27)31-14;/h8-10,14-15,18H,3-7H2,1-2H3,(H,26,27)(H,19,20,22,24);/q;+1/p-1/t10-,14-,15-,18-;/m1./s1

The following are the toxicity data which has been tested.

The IUPAC name of Adenosine,N-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate, sodium salt(1:1) is sodium [(4aR,6R,7R,7aR)-6-[6-(butanoylamino)purin-9-yl]-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate. With the CAS registry number 16980-89-5 and EINECS 241-059-4, it is also named as Bucladesine sodium salt. The product's category is Cyclic Nucleotide Related. It is colorless or white crystalline powder which should be stored at the temperature of -20 °C.

The other characteristics of this product can be summarized as: (1)#H bond acceptors: 13; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 7; (4)Polar Surface Area: 165.01 2; (5)Rotatable Bond Count: 8; (6)Tautomer Count: 4; (7)Exact Mass: 491.118194; (8)MonoIsotopic Mass: 491.118194; (9)Topological Polar Surface Area: 167; (10)Heavy Atom Count: 33; (11)Formal Charge: 0; (12)Complexity: 765; (13)Isotope Atom Count: 0; (14)Defined Atom StereoCenter Count: 4; (15)Covalently-Bonded Unit Count: 2.

Uses of Adenosine,N-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate, sodium salt(1:1): It is a cyclic nucleotide derivative that mimics the action of endogenous Cyclic AMP and is capable of permeating the cell membrane. It has vasodilator properties and is used as a cardiac stimulant.

People can use the following data to convert to the molecule structure.
1. Smiles:[C@@H]1([C@@H]([C@H]2[C@H](O1)COP(=O)(O2)[O-])OC(=O)CCC)n1c2c(nc1)c(ncn2)NC(=O)CCC.[Na+]
2. InChI:InChI=1S/C18H24N5O8P.Na/c1-3-5-11(24)22-16-13-17(20-8-19-16)23(9-21-13)18-15(30-12(25)6-4-2)14-10(29-18)7-28-32(26,27)31-14;/h8-10,14-15,18H,3-7H2,1-2H3,(H,26,27)(H,19,20,22,24);/q;+1/p-1/t10-,14-,15-,18-;/m1./s1

The following are the toxicity data which has been tested.