AG002TB3

2646-38-0 | Chenodeoxycholic Acid (sodium salt)

AG002TB3

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	2646-38-0
Catalog Number	AG002TB3(AGN-PC-0R2G3F)
Chemical Name	Chenodeoxycholic Acid (sodium salt)
IUPAC Name	sodium;(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-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(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26;/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28);/q;+1/p-1/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-;/m1./s1
InChI Key	WDFRNBJHDMUMBL-OICFXQLMSA-M
MDL Number	MFCD00065452
Molecular Formula	C24H39NaO4
Molecular Weight	414.5538
SMILES	C[C@H](CCC([O-])=O)[C@H]1CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C.[Na+]
UNII	6V4571KSKE
Synonyms	Acid, Chenic, Acid, Chenique, Acid, Chenodeoxycholic, Acid, Gallodesoxycholic, Chenic Acid, Chenique Acid, Chenix, Chenodeoxycholate, Chenodeoxycholate, Sodium, Chenodeoxycholic Acid, Chenodiol, Chenofalk, Chenophalk, Gallodesoxycholic Acid, Henohol, Quenobilan, Quenocol, Sodium Chenodeoxycholate, Chenodeoxycholic acid sodium salt, 2646-38-0, Sodium chenodeoxycholate, Sodium chenodesoxycholate, UNII-6V4571KSKE, Chenodesoxycholic acid sodium salt, chenodeoxycholic acid sodium, 6V4571KSKE, CCRIS 637, CHENODEOXYCHOLIC ACID, SODIUM SALT, Cholan-24-oic acid, 3,7-dihydroxy-, monosodium salt, (3a,5b,7a)-, 3Alpha,7alpha-dihydroxy-5beta-cholanic acid sodium salt, MFCD00065452, 3-alpha,7-alpha-dihydroxy-5-beta-cholan-24-oicacimonosodiumsalt, 5-beta-Cholan-24-oic acid, 3-alpha,7-alpha-dihydroxy-, monosodium salt, AKOS024386258, Cholan-24-oic acid, 3,7-dihydroxy-, monosodium salt, (3-alpha,5-beta,7-alpha)- (9CI), S0941, ST51037201, C-2940, 3alpha,7alpha-Dihydroxy-5beta-cholan-24-oic Acid Sodium Salt, (4R)-4-((1S,2S,7S,11S,5R,9R,10R,14R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo [8.7.0.0<2,7>.0<11,15>]heptadec-14-yl)pentanoic acid, sodium salt, C24H39O4.Na, C24-H39-O4.Na, Sodium chenodeoxycholate, 98% - 1G 1g, 5.beta.-Cholan-24-oic acid, 3.alpha.,7.alpha.-dihydroxy-, monosodium salt, Cholan-24-oic acid, 3,7-dihydroxy-, monosodium salt, (3.alpha.,5.beta.,7.alpha.)-, Sodium (4R)-4-((3R,7R,10S,13R,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate,

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-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number