AG003QZ8

10421-49-5 | Hyodeoxycholic acid sodium salt

AG003QZ8

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CAS Number	10421-49-5
Catalog Number	AG003QZ8(AGN-PC-0OT26B)
Chemical Name	Hyodeoxycholic acid sodium salt
IUPAC Name	sodium;(4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
InChI	InChI=1S/C24H40O4.Na/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2;/h14-21,25-26H,4-13H2,1-3H3,(H,27,28);/q;+1/p-1/t14-,15-,16+,17-,18+,19+,20+,21+,23-,24-;/m1./s1
InChI Key	DUYSCILLIVEITB-ADQIWYCWSA-M
MDL Number	MFCD00079342
Molecular Formula	C24H39NaO4
Molecular Weight	414.5538
SMILES	C[C@H](CCC([O-])=O)[C@H]1CC[C@@]2([H])[C@]3([H])C[C@H](O)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C.[Na+]
UNII	HBY71R8HO2
Synonyms	3,6-dihydroxy-5alpha-cholanoic acid, hyodeoxycholic acid, hyodeoxycholic acid, (3alpha,5beta,6beta)-isomer, hyodeoxycholic acid, (3alpha,6beta)-isomer, hyodeoxycholic acid, sodium salt, hyodesoxycholic acid, murideoxycholic acid, NaHDC compound, sodium hyodeoxycholate, Hyodeoxycholic Acid Sodium Salt, 10421-49-5, Sodium hyodeoxycholate, Cholan-24-oic acid, 3,6-dihydroxy-, monosodium salt, (3a,5b,6a)-, UNII-HBY71R8HO2, HBY71R8HO2, 3alpha,6alpha-Dihydroxy-5 beta,cholan-24-oic acid, 3alpha,6alpha-Dihydroxy-5beta-cholan-24-oic Acid Sodium Salt, 5 beta-Cholan-24-oic acid-3alpha,6alpha-diol, SCHEMBL16612328, MFCD00079342, AKOS016009391, AK112202, AX8134248, ST24030765, Sodium hyodesoxycholate, C24H39NaO4, C24-H40-O4.Na, H106, H0870, Sodium hyodeoxycholate, 96% - 100G 100g,

Complexity	612
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	10
Defined Bond Stereocenter Count	0
Exact Mass	414.275g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	414.562g/mol
Monoisotopic Mass	414.275g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	80.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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