AG0039CL

302-95-4 | Cholan-24-oic acid, 3,12-dihydroxy-, sodium salt (1:1), (3α,5β,12α)-

AG0039CL

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CAS Number	302-95-4
Catalog Number	AG0039CL(AGN-PC-0R5NHX)
Chemical Name	Cholan-24-oic acid, 3,12-dihydroxy-, sodium salt (1:1), (3α,5β,12α)-
EC Number	206-132-7
IUPAC Name	sodium;(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-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(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3;/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	FHHPUSMSKHSNKW-SMOYURAASA-M
MDL Number	MFCD00150750
Molecular Formula	C24H39NaO4
Molecular Weight	414.5538
SMILES	O[C@@H]1CC[C@@]2([C@H]3C[C@@H]([C@@]4([C@H](CC[C@H]4[C@@H]3CC[C@@H]2C1)[C@@H](CCC(=O)[O-])C)C)O)C.[Na+]
UNII	436LS6U35Y
Synonyms	12beta-Isomer Deoxycholic Acid, 3beta-Isomer Deoxycholic Acid, 5alpha-Isomer Deoxycholic Acid, Acid, 5alpha-Isomer Deoxycholic, Acid, Choleic, Acid, Deoxycholic, Acid, Desoxycholic, Acid, Dihydroxycholanoic, Acid, Lagodeoxycholic, Choleic Acid, Deoxycholate, Deoxycholate, Sodium, Deoxycholic Acid, Deoxycholic Acid, 12beta Isomer, Deoxycholic Acid, 12beta-Isomer, Deoxycholic Acid, 3beta Isomer, Deoxycholic Acid, 3beta-Isomer, Deoxycholic Acid, 5alpha Isomer, Deoxycholic Acid, 5alpha-Isomer, Deoxycholic Acid, Disodium Salt, Deoxycholic Acid, Magnesium (2:1) Salt, Deoxycholic Acid, Monoammonium Salt, Deoxycholic Acid, Monopotassium Salt, Deoxycholic Acid, Monosodium Salt, Deoxycholic Acid, Sodium Salt, 12beta-Isomer, Desoxycholic Acid, Dihydroxycholanoic Acid, Lagodeoxycholic Acid, Sodium Deoxycholate, Sodium deoxycholate, Deoxycholic acid sodium salt, 302-95-4, Sodium desoxycholate, Deoxycholate sodium, Desoxycholate sodium, Sodium 7-deoxycholate, Sodium deoxycholic acid, Na-Desoxycholat [German], CCRIS 655, Deoxycholic acid, sodium salt, UNII-436LS6U35Y, EINECS 206-132-7, Dihydroxy 3-12 cholanate de Na [French], CHEBI:9177, 3-alpha,12-alpha-Dihydroxy-5-beta-cholan-24-oic acid sodium salt, 436LS6U35Y, MFCD00064139, Natrium-3-alpha,12-alpha-dihydroxycholanat [German], Sodium 3-alpha,12-alpha-dihydroxy-5-beta-cholan-24-oate, NCGC00091038-01, ATX 101, DSSTox_CID_13389, DSSTox_RID_79069, DSSTox_GSID_33389, 3alpha,12alpha-Dihydroxy-5beta-cholanic acid sodium salt, Na-Desoxycholat, 5-beta-Cholan-24-oic acid, 3-alpha,12-alpha-dihydroxy-, sodium salt, 7-Deoxycholic acid sodium salt, Cholan-24-oic acid, 3,12-dihydroxy-, monosodium salt, (3a,5b,12a)-, Cholan-24-oic acid, 3,12-dihydroxy-, monosodium salt, (3alpha,5beta,12alpha)-, CAS-302-95-4, sodium (3alpha,5beta,12alpha)-3,12-dihydroxycholan-24-oate, Dihydroxy 3-12 cholanate de Na, (4R)-4-((1S,2S,11S,16S,5R,7R,10R,14R,15R)-5,16-dihydroxy-2,15-dimethyltetracyc lo[8.7.0.0<2,7>.0<11,15>]heptadec-14-yl)pentanoic acid, sodium salt, INNomicro Ea AAENI, deoxycholic acid sodium, E yenNomicro Ea AAENI, Natrium-3-alpha,12-alpha-dihydroxycholanat, 145224-92-6, Deoxycholic acid sodium salt monohydrate, SCHEMBL37482, MLS002695906, CHEMBL1365278, DTXSID5033389, HY-N0593A, Cholan-24-oic acid, 3,12-dihydroxy-, sodium salt (1:1), (3alpha,5beta,12alpha)-, Deoxycholic acid sodium salt hydrate, Tox21_111066, Tox21_200896, SBB057910, AKOS002391107, AKOS017345123, CS-8046, NCGC00258450-01, AC-24206, BP-31018, LS-53044, O134, SMR001562102, Sodium deoxycholate, >=97% (titration), 7-Deoxycholic Acid Sodium Salt Monohydrate, ST24031657, ST51007214, C11171, 68512-EP2275413A1, 68512-EP2308855A1, Deoxycholic acid sodium salt, for electrophoresis, C-25637, Q-200935, sodium 3alpha,12alpha-dihydroxy-5beta-cholan-24-oate, Sodium deoxycholate, Vetec(TM) reagent grade, >=97%, 3|A,12|A- paragraph signthornoC-5|A-micro IeEa AAENI, Sodium deoxycholate, BioXtra, >=98.0% (dry matter, NT), 3,12-Dihydroxy-cholan-24-oic acid monosodium salt, (3-alpha,5-beta,12-alpha)-, 3,12-Dihydroxy-cholan-24-oic acid monosodium salt, (3-alpha,5-beta,12-alpha)- (9CI), Cholan-24-oic acid, 3,12-dihydroxy-, monosodium salt, (3-alpha,5-beta,12-alpha)-, Cholan-24-oic acid, 3,12-dihydroxy-, monosodium salt, (3-alpha,5-beta,12-alpha)- (9CI), Sodium deoxycholate, Suitable for manufacturing of diagnostic kits and reagents, sodium (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-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, Sodium deoxycholate, PharmaGrade, Manufactured under appropriate controls for use as a raw material in pharma or biopharmaceutical production, Sodiumdeoxycholate, DEOXYCHOLIC ACID, Dehydroepiandrosterone acetate, C24H39NaO4, Desoxycholic acid sodium salt, ATX-101, C24H40O4.Na, ACN-057381Na, C24-H40-O4.Na, CID91448, Sodium Deoxycholate 90% extra pure 25gm, Sodium deoxycholate, 98% - 100G 100g, Cholan-24-oic acid, 3,12-dihydroxy-, monosodium salt, (3.alpha.,5.beta.,12.alpha.)-,

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	H302-H335
Packing Group
Precautionary statements	P261
UN Code

Certificate of Analysis

Lot Number