Patiromer Sorbitex Calcium

Synopsis, Chemistry

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POWDER;ORAL - EQ 16.8GM BASE/PACKET, POWDER;ORAL - EQ 1GM BASE/PACKET, POWDER;ORAL - EQ 25.2GM BASE/PACKET, POWDER;ORAL - EQ 8.4GM BASE/PACKET

POWDER;ORAL - EQ 16.8GM BASE/PACKET
POWDER;ORAL - EQ 1GM BASE/PACKET
POWDER;ORAL - EQ 25.2GM BASE/PACKET
POWDER;ORAL - EQ 8.4GM BASE/PACKET

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Also known as:

Molecular Formula

C₅₀H₆₂CaF₂O₁₀

Molecular Weight

901.1 g/mol

InChI Key

KDDZXVQCHUXALQ-NIQIMLPHSA-L

1 2D Structure

Patiromer Sorbitex Calcium

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

calcium;1,2-bis(ethenyl)benzene;1,3-bis(ethenyl)benzene;1,4-bis(ethenyl)benzene;2-fluoroprop-2-enoate;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;octa-1,7-diene

2.1.2 InChI

InChI=1S/3C10H10.C8H14.C6H14O6.2C3H3FO2.Ca/c1-3-9-5-7-10(4-2)8-6-9;1-3-9-6-5-7-10(4-2)8-9;1-3-9-7-5-6-8-10(9)4-2;1-3-5-7-8-6-4-2;7-1-3(9)5(11)6(12)4(10)2-8;2*1-2(4)3(5)6;/h3*3-8H,1-2H2;3-4H,1-2,5-8H2;3-12H,1-2H2;2*1H2,(H,5,6);/q;;;;;;;+2/p-2/t;;;;3-,4+,5-,6-;;;/m....1.../s1

2.1.3 InChI Key

KDDZXVQCHUXALQ-NIQIMLPHSA-L

2.1.4 Canonical SMILES

C=CCCCCC=C.C=CC1=CC=C(C=C1)C=C.C=CC1=CC(=CC=C1)C=C.C=CC1=CC=CC=C1C=C.C=C(C(=O)[O-])F.C=C(C(=O)[O-])F.C(C(C(C(C(CO)O)O)O)O)O.[Ca+2]

2.1.5 Isomeric SMILES

C=CCCCCC=C.C=CC1=CC=C(C=C1)C=C.C=CC1=CC(=CC=C1)C=C.C=CC1=CC=CC=C1C=C.C=C(C(=O)[O-])F.C=C(C(=O)[O-])F.C([C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O)O.[Ca+2]

2.2 Create Date

2015-01-24

3 Chemical and Physical Properties

Molecular Formula	C₅₀H₆₂CaF₂O₁₀
Molecular Weight	901.1 g/mol
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	16
Exact Mass	900.3936953 g/mol
Monoisotopic Mass	900.3936953 g/mol
Topological Polar Surface Area	202 A^2
Heavy Atom Count	63
Formal Charge	0
Complexity	556
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	8

4 Drug and Medication Information

4.1 Drug Information

1 of 1
Drug Name	VELTASSA
Active Ingredient	PATIROMER SORBITEX CALCIUM
Company	RELYPSA INC (Application Number: N205739. Patents: 7556799, 8147873, 8216560, 8282913, 8287847, 8337824, 8475780, 8778324, 8889115, 9492476, 9925212)