Cas no 112076-61-6 (Deoxycholic acid-d)

Deoxycholic acid-d structure
Deoxycholic acid-d structure
Product Name:Deoxycholic acid-d
CAS No:112076-61-6
MF:C24H40O4
MW:396.596654891968
MDL:MFCD00209707
CID:137932
PubChem ID:329759483
Update Time:2025-04-19

Deoxycholic acid-d Chemical and Physical Properties

Names and Identifiers

    • Cholan-24-oic-2,2,4,4-d4acid, 3,12-dihydroxy-, (3a,5b,12a)-
    • Deoxycholic acid-2,2,4,4-d4
    • Deoxycholic acid-d
    • CS-0068172
    • (3alpha,5beta,12alpha)-3,12-Dihydroxy(2,2,4,4-~2~H_4_)cholan-24-oic acid
    • CHEBI:192782
    • F90707
    • Deoxycholic Acid-d4
    • Deoxycholic-2,2,4,4-D4 acid
    • HY-N0593S
    • (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]pentanoic acid
    • Deoxycholic acid-2,2,4,4-d4, 98 atom % D, 98% (CP)
    • SCHEMBL1332499
    • DTXSID90745736
    • 112076-61-6
    • Deoxycholic acid-D4, 100 mug/mL in methanol, certified reference material
    • Cholan-24-oic-2,2,4,4-d4 acid, 3,12-dihydroxy-, (3a,5ss,12a)-; (3a,5ss,12a)-3,12-Dihydroxycholan-24-oic-2,2,4,4-d4 acid; Deoxycholic acid-d4; Deoxycholic-2,2,4,4-d4 acid; [2,2,4,4-2H4]-Deoxycholic acid; Deoxycholic acid (2,2,4,4-D4)
    • 1ST10388D4
    • MDL: MFCD00209707
    • Inchi: 1S/C24H40O4/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)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1/i10D2,12D2
    • InChI Key: KXGVEGMKQFWNSR-FCSCGBJGSA-N
    • SMILES: O[C@H]1C[C@@H]2[C@@]3(C)CC([2H])([2H])[C@H](C([2H])([2H])[C@H]3CC[C@H]2[C@@H]2CC[C@H]([C@H](C)CCC(=O)O)[C@]21C)O

Computed Properties

  • Exact Mass: 400.34296
  • Monoisotopic Mass: 396.31776674g/mol
  • Isotope Atom Count: 4
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 4
  • Complexity: 605
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 10
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.9
  • Topological Polar Surface Area: 77.8?2

Experimental Properties

  • Melting Point: 171-174?°C
  • Flash Point: 9℃
  • PSA: 77.76
  • Color/Form: 100?μg/mL in methanol

Deoxycholic acid-d Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H302-H315-H319-H335
  • Warning Statement: P261-P305+P351+P338
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 22-36/37/38
  • Safety Instruction: 26-36
  • Hazardous Material Identification: Xn
  • Storage Condition:?20°C
  • Risk Phrases:R22
  • Safety Term:S26-36

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Deoxycholic acid-d Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:112076-61-6)Deoxycholic acid-d
Order Number:A1009580
Stock Status:in Stock
Quantity:10mg/5mg
Purity:99%
Pricing Information Last Updated:Thursday, 29 August 2024 15:09
Price ($):602.0/351.0

Deoxycholic acid-d Related Literature

Recommended suppliers
Amadis Chemical Company Limited
(CAS:112076-61-6)Deoxycholic acid-d
A1009580
Purity:99%/99%
Quantity:10mg/5mg
Price ($):602.0/351.0
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