AG00AD5F

171440-18-9 | (R)-(+)-Rabeprazole sodium

AG00AD5F

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CAS Number	171440-18-9
Catalog Number	AG00AD5F(AGN-PC-0Q9XH3)
Chemical Name	(R)-(+)-Rabeprazole sodium
IUPAC Name	sodium;2-[(R)-[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methylsulfinyl]benzimidazol-1-ide
InChI	InChI=1S/C18H20N3O3S.Na/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18;/h3-4,6-9H,5,10-12H2,1-2H3;/q-1;+1/t25-;/m1./s1
InChI Key	KRCQSTCYZUOBHN-VQIWEWKSSA-N
MDL Number	MFCD11840547
Molecular Formula	C18H20N3NaO3S
Molecular Weight	381.4245
SMILES	O=[S@@](C1=NC2=CC=CC=C2[N-]1)CC3=NC=CC(OCCCOC)=C3C.[Na+]
Synonyms	Dexrabeprazole sodium, 171440-18-9, (R)-Rabeprazole Sodium Salt, KS-00000RXJ, AKOS015994685, KS-1101, AK322278, FT-0689461, J-010725, UNII-3L36P16U4R component KRCQSTCYZUOBHN-VQIWEWKSSA-N, sodium (R)-2-(((4-(3-methoxypropoxy)-3-methylpyridin-2-yl)methyl)sulfinyl)benzo[d]imidazol-1-ide, RABEPRAZOLE SODIUM, ACN-038188, CID10786084, A16147, 117976-90-6,

Complexity	446
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	381.112g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	381.426g/mol
Monoisotopic Mass	381.112g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	81.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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