Chenodeoxycholic Acid-d5 (Major)

CAT: 0572-TRC-C291903-25MGSize: 25 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-C291903-25MGSize:25 mg

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CAS Number

52840-12-7

Synonyms

(3α,5β,7α)-3,7-Dihydroxycholan-24-oic Acid-d5; (+)-Chenodeoxycholic Acid-d5; 17β-(1-Methyl-3-carboxypropyl)etiocholane-3α,7α-diol-d5; Chenodeoxycholic Acid-d5; CDC-d5; Chendol-d5; Chenodiol-d5; Chenocol-d5; Fluibil-d5;

Hazard Statement

Causes skin irritation

Purity

>95% (HPLC)

Smiles

O[C@@H]1C[C@]2([H])C([2H])([2H])[C@@](O)([2H])C([2H])([2H])C[C@]2(C)[C@]3([H])[C@]1([H])[C@@]4([H])[C@]([C@]([C@H](C)CCC(O)=O)([H])CC4)(C)CC3

Molecular Formula

C24H35D5O4

Molecular Weight

397.6

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

Chenodeoxycholic Acid-d5 (Major)

CAS Number	52840-12-7
PubChem CID	71309530
IUPAC Name	(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-2,2,3,4,4-pentadeuterio-3,7-dihydroxy-10,13-dimethyl-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
Molecular Formula	C24H40O4
Molecular Weight	397.6
XLogP	4.9
Topological Polar Surface Area	77.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	28
Formal Charge	0
Complexity	605

SMILES

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

InChI

InChI=1S/C24H40O4/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)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1/i8D2,12D2,16D

InChIKey

RUDATBOHQWOJDD-FVAYXOGXSA-N

Chemical Structure

2D Structure

CAS: 52840-12-7

CID: 71309530

Formula: C24H40O4

MW: 397.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	397.6
XLogP3	4.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	397.32404348
Monoisotopic Mass	397.32404348
Topological Polar Surface Area	77.8 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	605
Isotope Atom Count	5
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

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TRC-L469183-5MG	Lithocholic Acid-d5 (Major)
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TRC-C291900-10G	Chenodeoxycholic Acid
TRC-C291900-25G	Chenodeoxycholic Acid

Alternative Products

Catalog	Name
CCA84012-01	Chenodeoxycholic acid-d5 (major)
444291-01	Chenodeoxycholic Acid-d7 (Major)
HY-76847S3-01	Chenodeoxycholic acid-d5
MBS6035190-01	Niflumic Acid-d5 (Major)
sc-489376	Lithocholic acid-d5 (major)
2831-1G	Chenodeoxycholic acid

Chenodeoxycholic Acid-d5 (Major)

Chemical Information

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