AG003OP7

7421-40-1 | Carbenoxolone (sodium salt)

AG003OP7

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CAS Number	7421-40-1
Catalog Number	AG003OP7(AGN-PC-0U4REK)
Chemical Name	Carbenoxolone (sodium salt)
EC Number	231-044-0
IUPAC Name	disodium;(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-(3-carboxylatopropanoyloxy)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate
InChI	InChI=1S/C34H50O7.2Na/c1-29(2)23-10-13-34(7)27(32(23,5)12-11-24(29)41-26(38)9-8-25(36)37)22(35)18-20-21-19-31(4,28(39)40)15-14-30(21,3)16-17-33(20,34)6;;/h18,21,23-24,27H,8-17,19H2,1-7H3,(H,36,37)(H,39,40);;/q;2*+1/p-2/t21-,23-,24-,27+,30+,31-,32-,33+,34+;;/m0../s1
InChI Key	BQENDLAVTKRQMS-SBBGFIFASA-L
MDL Number	MFCD03840711
Molecular Formula	C34H48Na2O7
Molecular Weight	614.7203
SMILES	C[C@@](CC[C@]1(C2(C)C)[H])([C@]3([C@@]1(C)CC[C@@H]2OC(CCC([O-])=O)=O)[H])[C@@](CC[C@@]4([C@]5(C[C@](C)(CC4)C([O-])=O)[H])C)(C)C5=CC3=O.[Na+].[Na+]
UNII	F1MP7242Z5
Synonyms	18alpha Carbenoxolone, 18alpha Glycyrrhetinic Acid 3beta O Hemisuccinate, 18alpha-Carbenoxolone, 18alpha-Glycyrrhetinic Acid 3beta-O-Hemisuccinate, 3-O-hemisuccinate, Glycyrrhetinic Acid, 3beta-O-Hemisuccinate, 18alpha-Glycyrrhetinic Acid, Acid 3-O-hemisuccinate, Glycyrrhetinic, Acid 3beta-O-Hemisuccinate, 18alpha-Glycyrrhetinic, Biogastrone, Bioral, Carbeneoxolone, Carbenoxalone, Carbenoxolone, Carbenoxolone Disodium Salt, Carbenoxolone Sodium, Carbosan, Duogastrone, Glycyrrhetinic Acid 3 O hemisuccinate, Glycyrrhetinic Acid 3-O-hemisuccinate, Pharmaxolon, Sanodin, Carbenoxolone disodium, Biogastrone, Bioral, CARBENOXOLONE SODIUM, Duogastrone, Sanodin, 7421-40-1, UNII-F1MP7242Z5, Gastrausil, Neogel, Berkobiogastrone, Ulcus-tablinen, Carbenoxolone disodium salt, Terulcon tabletten, F1MP7242Z5, Sodium carbenoxolone, Carbenoxolon dinatrium, Carbenoxolon-dinatrium, Carbenoxolone, disodium salt, DSSTox_CID_25572, DSSTox_RID_80969, DSSTox_GSID_45572, Disodium glycyrrhetinyl succina, Carbenoxolone sodium [USAN:JAN], EINECS 231-044-0, Glycyrrhetinic acid hydrogen succinate, disodium salt, 18-beta-Glycyrrhetinic acid hydrogen succinate, disodium salt, Bioplex, Vampex, Sodium 3-beta-hydroxy-11-oxo-12-oleanen-30-oate sodium succinate, 3beta-Hydroxy-11-oxoolean-12-en-30-oic acid hydrogen succinate disodium salt, 3-beta-Hydroxy-11-oxoolean-12-en-30-oic acid hydrogen succinate, disodium salt, 3-O-(beta-Carboxypropionyl)-11-oxo-18-beta-olean-12-en-30-oic acid, disodium salt, Prestwick_19, NCGC00017073-01, Olean-12-en-29-oic acid, 3-(3-carboxy-1-oxopropoxy)-11-oxo-, disodium salt, (3-beta,20-beta)-, CAS-7421-40-1, yp003, AC1LCS65, SCHEMBL57233, CHEMBL1697717, DTXSID7045572, CHEBI:31351, Carbenoxolone sodium (JAN/USAN), Olean-12-en-30-oic acid, 3-beta-hydroxy-11-oxo-, hydrogen succinate, disodium salt, HMS1570H15, HMS2097H15, HMS3714H15, Olean-12-en-29-oic acid, 3-(3-carboxy-1-oxopropoxy)-11-oxo, disodium salt, (3beta,20beta)-, Tox21_110769, BDBM50005105, MFCD00079043, YP-003, AKOS016036367, AKOS024457425, Tox21_110769_1, CCG-220837, NCGC00179431-03, D01899, 3beta-Hydroxy-11-oxoolean-12-en-30-oic acid 3-hemisuccinate, (3?,20?)-3-(3-Carboxy-1-oxopropoxy)-11-oxoolean-12-en-29-oic acid disodium, disodium (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-10-(4-oxido-4-oxobutanoyl)oxy-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate, disodium (2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-[(3-carboxylatopropanoyl)oxy]-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,7,8,8a,10,11,12,12b,14b-dodecahydro-1H-picene-2-carboxylate, carbenoxolone, Pyrogastrone, Panimun Bioral, D0G6ZW, C34H48Na2O7, C34H50O7.2Na, disodium succinoyl glycyrrhetinate, C34-H48-O7.2Na, CID636402, A8389, Olean-12-en-30-oic acid, 3.beta.-hydroxy-11-oxo-, hydrogen succinate, disodium salt, Olean-12-en-29-oic acid, 3-(3-carboxy-1-oxopropoxy)-11-oxo-, disodium salt, (3.beta.,20.beta.)-,

Complexity	1190
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	9
Defined Bond Stereocenter Count	0
Exact Mass	614.32g/mol
Formal Charge	0
Heavy Atom Count	43
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	614.731g/mol
Monoisotopic Mass	614.32g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	124A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number