Glycodeoxycholic Acid-D4

CAT: 1134-ESS0547-04Size: 100 mgDry Ice: NoHazardous: No

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CAT#:1134-ESS0547-04Size:100 mg

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CAS Number

1069132-37-1

Synonyms

N-[ (3α,5β,12α) -3,12-dihydroxy-24-oxocholan-24-yl-2,2,4,4-d4]-glycine

H Phrases

H303

UDF Signal Word

Warning

Hazard Statement

Not dangerous goods.

Applications

Deuterated Deoxycholic Acid Metabolite

Molecular Formula

C26H39D4NO5

Molecular Weight

453.65

Packaging Group

Not Available. Not dangerous goods.

Shipping Conditions

Room temerature

Storage Conditions

Store at -18ºC

Hazardous Class

Not dangerous goods.

Chemical Information

Glycodeoxycholic-2,2,4,4-d4 acid

Glycodeoxycholic acid-2,2,4,4-d4 is a glycodeoxycholic acid and a deuterated compound.

CAS Number	1069132-37-1
PubChem CID	71309868
IUPAC Name	2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-2,2,4,4-tetradeuterio-3,12-dihydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid
Molecular Formula	C26H43NO5
Molecular Weight	453.6
XLogP	4.3
Topological Polar Surface Area	107
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	32
Formal Charge	0
Complexity	727

SMILES

[2H]C1(C[C@]2([C@H](CC[C@@H]3[C@@H]2C[C@@H]([C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=O)NCC(=O)O)C)O)C([C@@H]1O)([2H])[2H])C)[2H]

InChI

InChI=1S/C26H43NO5/c1-15(4-9-23(30)27-14-24(31)32)19-7-8-20-18-6-5-16-12-17(28)10-11-25(16,2)21(18)13-22(29)26(19,20)3/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16-,17-,18+,19-,20+,21+,22+,25+,26-/m1/s1/i10D2,12D2

InChIKey

WVULKSPCQVQLCU-JHVXYEQYSA-N

Chemical Structure

2D Structure

CAS: 1069132-37-1

CID: 71309868

Formula: C26H43NO5

MW: 453.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	453.6
XLogP3	4.3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	453.33923046
Monoisotopic Mass	453.33923046
Topological Polar Surface Area	107 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	727
Isotope Atom Count	4
Defined Atom Stereocenter Count	10
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
ESS0535-01	Chenodeoxycholic Acid-D4
ESS0550-01	Lithocholic Acid-D4
ESS0545-01	Deoxycholic Acid-D4
ESS0372-01	Losartan Acid-D4
ESS0315-01	Glycoursodeoxycholic Acid-D4
ESS0552-01	Glycolithocholic Acid-D4
ESS0537-01	Glycochenodeoxycholic Acid-D4
ESS0313-01	Ursodeoxycholic Acid D4
ESS0536-01	Taurochenodeoxycholic Acid-D4 Sodium
ESS0534-01	3β-Chenodeoxycholic Acid-D4

Alternative Products

Catalog	Name
HY-125731S-01	Glycodeoxycholic acid-d4
HY-141916S	Glycodeoxycholic acid sulfate-d4 (disodium)
HY-139610S1-01	3-Sulfo-glycodeoxycholic acid-d4 (sodium)
HY-139610S-01	3-Sulfo-glycodeoxycholic acid-d4 (disodium)
BUP16783-01	GLYCODEOXYCHOLIC ACID
TRC-G641418-1MG	Glycodeoxycholic Acid (2,2,4,4-d4)
RM-G123302-01	Glycodeoxycholic-2,2,4,4-D4 Acid
HY-N1427A-01	Glycodeoxycholic acid (monohydrate)
T38468-01	Glycodeoxycholic acid monohydrate
HY-W653999	Glycodeoxycholic acid-d5

Glycodeoxycholic Acid-D4

Chemical Information

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