Products 1207294-25-4

CAS 1207294-25-4 appears in our catalog under these names: Tauroursodeoxycholic-d5 Acid (Tauroursodiol-d5), Tauroursodeoxycholic Acid-d5 (Tauroursodiol-d5), Tauroursodeoxycholic-2,2,3,4,4-d5 Acid, >95% (HPLC), Tauroursodeoxycholic Acid–d5, Tauroursodeoxycholate-d5. Offered by: Chemat Brand, TRC, GLPBio, MedChemExpress. Available pack sizes: on request, 10mg, 1mg, 5mg, 1 mg, 5 mg.

Tauroursodeoxycholic-d5 Acid (Tauroursodiol-d5)
Chemat Brand
  • size: on request
  • Variants: 1
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Tauroursodeoxycholic Acid-d5 (Tauroursodiol-d5)
Chemat Brand
  • size: on request
  • Variants: 1
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Tauroursodeoxycholic-2,2,3,4,4-d5 Acid, >95% (HPLC)
TRC
  • size: 10mg, 1mg, 5mg
  • Variants: 3
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Tauroursodeoxycholic Acid–d5
GLPBio
  • size: 1mg
  • Variants: 1
from 3016.86
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Tauroursodeoxycholate-d5
MedChemExpress
  • size: 1 mg, 5 mg
  • Variants: 2
from 4007.03
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Structural formula: {0} (CAS {1})

2-[[(4R)-4-[(3R,5S,7S,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]pentanoyl]amino]ethanesulfonic acid (CAS 1207294-25-4) is a chemical compound with the molecular formula C26H45NO6S and a molecular weight of 504.7 g/mol. IUPAC name: 2-[[(4R)-4-[(3R,5S,7S,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]pentanoyl]amino]ethanesulfonic acid. InChIKey: BHTRKEVKTKCXOH-UYRINQEQSA-N.

Identity
Molecular formulaC26H45NO6S
Molecular weight504.7 g/mol
IUPAC name2-[[(4R)-4-[(3R,5S,7S,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]pentanoyl]amino]ethanesulfonic acid
InChIKeyBHTRKEVKTKCXOH-UYRINQEQSA-N
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)NCCS(=O)(=O)O)C)C)([2H])[2H])O

Computed by PubChem (NCBI)

Synonyms: Tauroursodeoxycholic-2,2,3,4,4-d5 Acid, Tauroursodeoxycholate-d5, Tauroursodeoxycholic-d5 acid, orb2299813, Tauroursodeoxycholic Acid-D5 (Tauroursodiol-D5)
Related forms of this compound
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]ethanesulfonic acid C26H45NO6S
2-[[(4R)-4-[(3R,5S,7S,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]ethanesulfonic acid C26H45NO6S
Isomers (same molecular formula)
2-[[(4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-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]ethanesulfonic acid C26H45NO6S
2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-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]ethanesulfonic acid C26H45NO6S