ChemicalBook--->CAS DataBase List--->640-79-9

640-79-9

640-79-9 Structure

640-79-9 Structure
IdentificationBack Directory
[Name]

Glycochenodeoxycholic Acid
[CAS]

640-79-9
[Synonyms]

GCDC
GCDCA
Glycochenodeoxycholate
Chenodeoxycholylglycine
Glycine chenodeoxycholate
glycochenodeoxycholic aci
GLYCOCHENODEOXYCHOLIC ACID
Glycoanthropodeoxycholic acid
Glycochenodeoxycholic-d4 Acid
Glycochenodeoxycholic acid, >98%
glycochenodeoxycholic acid (GCDCA)
N-[(3a,5b,7a)-3,7-dihydroxy-24-oxocholan-24-yl]-Glycine
Glycine, N-[(3a,5b,7a)-3,7-dihydroxy-24-oxocholan-24-yl]
Glycine, N-[(3α,5β,7α)-3,7-dihydroxy-24-oxocholan-24-yl]-
3alpha,7alpha-Dihydroxy-N-(carboxymethyl)-5beta-cholan-24-amide
2-((R)-4-((3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)acetic acid
2-[[(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]pentanoyl]amino]acetic acid
2-[[(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]pentanoyl]amino]ethanoic acid
[Molecular Formula]

C26H43NO5
[MDL Number]

MFCD00271498
[MOL File]

640-79-9.mol
[Molecular Weight]

449.62
Chemical PropertiesBack Directory
[Boiling point ]

655.6±40.0 °C(Predicted)
[density ]

1.162±0.06 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMSO : ≥ 29 mg/mL (64.50 mM)
[form ]

Solid
[pka]

3.58±0.10(Predicted)
[color ]

White to off-white
[InChIKey]

GHCZAUBVMUEKKP-VHGKAQQHNA-N
[SMILES]

C(O)(=O)CNC(=O)CC[C@@H](C)[C@@H]1[C@]2(CCC3[C@]4(C)[C@]([H])(C[C@@H](O)C3C2CC1)C[C@H](O)CC4)C |&1:9,11,12,16,18,21,28,r|
Safety DataBack Directory
[Symbol(GHS) ]


GHS02,GHS06,GHS08
[Signal word ]

Danger
[Hazard statements ]

H225-H301+H311+H331-H370
[Precautionary statements ]

P210-P240-P241-P242-P243-P260-P264-P270-P271-P280-P301+P310-P321-P330-P303+P361+P353-P304+P340-P307+P311-P312-P361+P364-P370+P378-P403+P233-P403+P235-P405-P501
Hazard InformationBack Directory
[Definition]

ChEBI: A bile acid glycine conjugate having 3alpha,7alpha-dihydroxy-5beta-cholan-24-oyl as the bile acid component.
[storage]

Store at -20°C
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