AG00IF42

88495-63-0 | Butanedioic acid,mono[(3R,5aS,6R,8aS,9R,10S,12R,12aR)-decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10-yl] ester

AG00IF42

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CAS Number	88495-63-0
Catalog Number	AG00IF42(AGN-PC-0VLTK7)
Chemical Name	Butanedioic acid,mono[(3R,5aS,6R,8aS,9R,10S,12R,12aR)-decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10-yl] ester
EC Number	618-170-5
IUPAC Name	4-oxo-4-[[(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butanoic acid
InChI	InChI=1S/C19H28O8/c1-10-4-5-13-11(2)16(23-15(22)7-6-14(20)21)24-17-19(13)12(10)8-9-18(3,25-17)26-27-19/h10-13,16-17H,4-9H2,1-3H3,(H,20,21)/t10-,11-,12+,13+,16-,17-,18-,19-/m1/s1
InChI Key	FIHJKUPKCHIPAT-AHIGJZGOSA-N
MDL Number	MFCD00866204
Molecular Formula	C19H28O8
Molecular Weight	384.4208
SMILES	C[C@@H]1[C@]2([C@]34[C@](O[C@H]1OC(CCC(O)=O)=O)(O[C@](C)(OO3)CC[C@]4([C@H](C)CC2)[H])[H])[H]
UNII	60W3249T9M
Synonyms	artesunate, Dihydroartemisinin, Succinyl, Dihydroartemisinine 12 alpha succinate, dihydroartemisinine-12-alpha-succinate, Malacef, malartin, SM 804, SM-804, SM804, sodium artesunate, succinyl dihydroartemisinin, Artesunate, Artesunic acid, Artesunato, Artesunatum, Arinate, Arsumax, Dihydroqinghasu hemsuccinate, 88495-63-0, UNII-60W3249T9M, CHEBI:63918, 60W3249T9M, Arsuamoon, WR-256283, Butanedioic acid, 1-[(3R,5aS,6R,8aS,9R,10S,12R,12aR)-decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10-yl] ester, Quinghaosu reduced succinate ester, Artesunata, Plasmotrin, Qinghaozhi, Cosinate, Saphnate, Zysunate, Asumax, Gsunate Forte, 4-oxo-4-{[(3R,5aS,6R,8aS,9R,10S,12R,12aR)-3,6,9-trimethyldecahydro-3,12-epoxypyrano[4,3-j][1,2]benzodioxepin-10-yl]oxy}butanoic acid, Armax 200, Artesunatum [INN-Latin], Artesunato [INN-Spanish], Plasmotrim, Artsuna, Nuartez, Artesunate [USAN:INN:BAN], HSDB 7458, Dihydroartemisinine-12alpha-succinate, WR 256283, MLS006011590, CHEMBL361497, SCHEMBL14552891, FIHJKUPKCHIPAT-AHIGJZGOSA-N, (3R,5aS,6R,8aS,9R,10S,12R,12aR)-Decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin-10-ol, hydrogen succinate, 4-oxo-4-(((3R,5aS,6R,8aS,9R,10S,12R,12aR)-3,6,9-trimethyldecahydro-3H-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10-yl)oxy)butanoic acid, ACT02643, HY-N0193, ZINC14096305, CS-8151, DB09274, SMR002499399, BRD-K54634444-001-05-9, 4-Oxo-4-(((3R,5aS,6R,8aS,9R,10S,12R,12aR)-3,6,9-trimethyldecahydro-3,12-epoxypyrano(4,3-j)-1,2-benzodioxepin-10-yl hydrogen butanedioate, Butanedioic Acid Mono(3R,5aS,6R,8aS,9R,10R,12R,12aR)-decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10-yl] Ester, Butanedioic acid, mono((3R,5aS,6R,8aS,9R,10S,12R,12aR)-decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin-10-yl) ester, D95, cosunate, Artesunate [INN], Succinyl dihydroartemisinin, Artesunate [USAN:INN], SM 804, ACN-035561, C19-H28-O8, CID6917864, CS-O-00841, As,

Complexity	623
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	8
Defined Bond Stereocenter Count	0
Exact Mass	384.178g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	384.425g/mol
Monoisotopic Mass	384.178g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	101A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

Lot Number