AG007PDZ

217087-09-7 | Esomeprazole Magnesium trihydrate

AG007PDZ

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CAS Number	217087-09-7
Catalog Number	AG007PDZ(AGN-PC-0QY8G1)
Chemical Name	Esomeprazole Magnesium trihydrate
IUPAC Name	magnesium;5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]benzimidazol-1-ide;trihydrate
InChI	InChI=1S/2C17H18N3O3S.Mg.3H2O/c2*1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17;;;;/h2*5-8H,9H2,1-4H3;;3*1H2/q2*-1;+2;;;
InChI Key	VEVZQDGATGBLIC-UHFFFAOYSA-N
MDL Number	MFCD11226784
Molecular Formula	C34H42MgN6O9S2
Molecular Weight	767.1671
SMILES	[H]O[H].[H]O[H].[H]O[H].CC1=C(CS2=[O][Mg+2]5([N](C(C=CC(OC)=C7)=C7[N-]6)=C6S(CC8=C(C)C(OC)=C(C)C=N8)=[O]5)[N]3=C2[N-]C4=C3C=CC(OC)=C4)N=CC(C)=C1OC
Synonyms	Esomeprazole magnesium trihydrate, 217087-09-7, Esomeprazole (Magnesium trihydrate), Esomeprazole magnesium, Nexium, AC1L2XMA, VEVZQDGATGBLIC-UHFFFAOYSA-N, (s)-omeprazole magnesium trihydrate, 1H-Benzimidazole, 5-methoxy-2-((S)-((4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)sulfinyl)-, magnesium salt, trihydrate, 5-Methoxy-2-((S)-((4-methoxy-3,5-dimethyl-2-pyridyl)methyl)sulfinyl)benzimidazole, magnesium salt (2:1), trihydrate, BCP05838, Magnesium, bis(5-methoxy-2-((S)-((4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)sulfinyl-kappaO)-1H-benzimidazolato-kappaN1)-, trihydrate, (T-4)-, AC-402, MFCD07698573, AKOS015967196, CS-1024, KS-1054, AK172773, AN-15879, HY-17022, SY108184, LS-181810, FT-0625712, MFCD07698573 (95%), H199/18, magnesium 5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylsulfinyl]benzimidazol-1-ide trihydrate, magnesium 5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]benzimidazol-1-ide trihydrate, magnesium;5-methoxy-2-[(R)-(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]benzimidazol-1-ide;tri, N Bis (1H-Benzimidazole,5-methoxy-2-[(S)-[4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)sulfinyl]-), CID130565, ACN-038385, A3399,

Complexity	453
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	6
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	766.231g/mol
Formal Charge	0
Heavy Atom Count	52
Hydrogen Bond Acceptor Count	17
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	767.168g/mol
Monoisotopic Mass	766.231g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	166A^2
Undefined Atom Stereocenter Count	2
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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