AG00BF7N

256373-96-3 | CP-456773 sodium

AG00BF7N

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CAS Number	256373-96-3
Catalog Number	AG00BF7N(AGN-PC-0R1FK5)
Chemical Name	CP-456773 sodium
IUPAC Name	sodium;1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylazanide
InChI	InChI=1S/C20H24N2O5S.Na/c1-20(2,24)14-10-17(27-11-14)28(25,26)22-19(23)21-18-15-7-3-5-12(15)9-13-6-4-8-16(13)18;/h9-11,24H,3-8H2,1-2H3,(H2,21,22,23);/q;+1/p-1
InChI Key	LFQQNXFKPNZRFT-UHFFFAOYSA-M
MDL Number	MFCD30478884
Molecular Formula	C20H24N2NaO5S
Molecular Weight	427.4697
SMILES	N(C(=O)NS(=O)(=O)c1cc(co1)C(C)(C)O)c1c2c(cc3c1CCC3)CCC2.[Na]
Synonyms	MCC950 sodium, 256373-96-3, CRID3 sodium salt, MCC950 (sodium), CP-456773 sodium, CP-456773, MCC950(CP-456773), MCC 950, MCC950 sodium salt, AOB6854, BCP16648, HY-12815A, MFCD30478884, s7809, AKOS025147369, AKOS027470193, MCC950 (CP-456773) sodium, CS-5427, AK547693, AS-16974, CP-456773 sodium salt, >=98% (HPLC), J-690261, N-[[(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)amino]carbonyl]-4-(1-hydroxy-1-methylethyl)-2-furansulfonamide sodium salt, sodium;1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylazanide, TENOFOVIR ALAFENAMIDE, MCC950, A13478,

Complexity	690
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	426.123g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	426.463g/mol
Monoisotopic Mass	426.123g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	106A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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