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14605-22-2

Basic Information
CAS No.: 14605-22-2
Name: TAUROURSODEOXYCHOLIC ACID
Article Data: 10
Molecular Structure:
Molecular Structure of 14605-22-2 (TAUROURSODEOXYCHOLIC ACID)
Formula: C26H45NO6S
Molecular Weight: 499.712
Synonyms: tauroursodeoxycholate Sodium;Taurine,N-(3a,7b-dihydroxy-5b-cholan-24-oyl)- (8CI);Tauroursodeoxycholic acid (6CI,7CI);3a,7b-Dihydroxy-5b-cholanoyltaurine;UR 906;Ursodeoxycholyltaurine;
EINECS: 1308068-626-2
Density: 1.216 g/cm3
Melting Point: 173-175 °C
Boiling Point: 496.4oC at 760mmHg
Flash Point: 214.2oC
Solubility: 10 mg/ml in water
Appearance: off-white solid
Safety: 22-24/25
PSA: 132.31000
LogP: 4.86900
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  • cas 14605-22-2 Tauroursodeoxycholic acid

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    14605-22-2

    cas 14605-22-2 Tauroursodeoxycholic acid

    Min.Order: 1 Kilogram

    FOB Price:  USD $ 0.0-0.0

    1,we produce and sell good chemicals around the world. 2,our success rate is about 95%. this means, if customer order is accepted, the probability that the customer will obtain the ordered substances, is 95%. 3,our staff consists of highly qualifie

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  •  Hubei Jiutian Bio-medical Technology Co., Ltd

     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:+86-027-88013699

    Address:Room 03-6, 5th floor, building 1, international enterprise center phase iii, no. 1, guanggu avenue, east lake new technology development zone, wuhan city

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  • Ethanesulfonic acid,2-[[(3a,5b,7b)-3,7-dihydroxy-24-oxocholan-24-yl]amino]-

  • Casno:

    14605-22-2

    Ethanesulfonic acid,2-[[(3a,5b,7b)-3,7-dihydroxy-24-oxocholan-24-yl]amino]-

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    Henan Wentao Chemical Product Co.,Ltd is Located in Zhengzhou High-tech Development Zone with import and export license, We passed ISO 9001:2008 as well, Henan Wentao has developed more than 1000 compounds, which are widely used in the fields of prod

    The company is Located in Zhengzhou High-tech Development Zone with import and export license, We passed ISO 9001:2008 as well, Henan Wentao has developed more than 1000 compounds,

  •  Henan Wentao Chemical Product Co., Ltd.

     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:+86-370-2722992

    Address:32 Room, 5th Floor, Building 11, No. 6 Yinxing Road, High-tech Industrial Development Zone, Zhengzhou City, Henan Province

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  • Yinherb Lab Supply Tudca Tauroursodeoxycholic Acid 99% Purity Raw Powder in Stock

  • Casno:

    14605-22-2

    Yinherb Lab Supply Tudca Tauroursodeoxycholic Acid 99% Purity Raw Powder in Stock

    Min.Order: 100 Gram

    FOB Price:  USD $ 0.0-0.0

    Xi'an Yinherb Bio-Tech Co., Ltd was founded in 2009, We have more than 10 experienced doctors and scientists and professional managers, specializing in Nootropics, Sarms and Peptides researching and developing, and become the lead

    Xi'an Yinherb Bio-Tech Co., Ltd was founded in 2009, We have more than 10 experienced doctors and scientists and professional managers, specializing in Nootropics,Sarms and Peptide

  •  Xi'an Yinherb Bio-Tech Co., Ltd.

     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:86-29-63332330

    Address:No.13 Bridge,Kunming Rd, Hi-tech Zone, Xi'an city, China

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Specification

The Tauroursodeoxycholic acid, with the CAS registry number 14605-22-2, is also known as N-(3-α,7-β-Dihydroxy-5-β-cholan-24-oyl)-taurine. It belongs to the product categories of Miscellaneous Natural Products; Bile Acids; Biochemistry; Steroids; Chiral Reagents; Inhibitors; Intermediates & Fine Chemicals; Pharmaceuticals. This chemical's molecular formula is C26H45NO6S and molecular weight is 499.70. Its IUPAC name is called 2-[[(4R)-4-[(3R,5S,7S,10S,13R,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. This chemical's classification codes are Anti-Infective Agents; Antiviral Agents; Cholagogues and Choleretics; Drug / Therapeutic Agent; Gastrointestinal Agents. This chemical is off-white solid. When you are using this chemical, please be cautious about it, you should not breathe its dust. In addition, you should avoid contacting it with skin and eyes.

Physical properties of Tauroursodeoxycholic acid: (1)ACD/LogP: 2.10; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 7; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 9; (10)Index of Refraction: 1.552; (11)Molar Refractivity: 131.3 cm3; (12)Molar Volume: 410.7 cm3; (13)Surface Tension: 50.3 dyne/cm; (14)Density: 1.216 g/cm3.

Preparation: this chemical can be prepared by 2-amino-ethanesulfonic acid and 3a,7b-dihydroxy-5b-cholan-24-oic acid. This reaction will need reagent N-ethoxycarbonyl-2-ethoxy-1,2-dihydroquinone, N-methylmorpholine, Et3N and solvent ethanol. The reaction time is 3 min. The yield is about 67%.

Uses of Tauroursodeoxycholic acid: it can be used to produce N-nitroso τroursodeoxycholic acid at temperature of 2-4 °C. This reaction will need reagent HNO2 and solvent acetic acid. The yield is about 75%.

You can still convert the following datas into molecular structure:
(1)SMILES: OS(=O)(=O)CCNC(=O)CC[C@@H](C)[C@H]2CC[C@H]1[C@H]3[C@H](CC[C@@]12C)[C@@]4(C)CC[C@@H](O)CC4CC3O
(2)InChI: InChI=1/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17?,18-,19-,20+,21+,22?,24+,25+,26-/m1/s1
(3)InChIKey: BHTRKEVKTKCXOH-VCXRXPCUBX

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 350mg/kg (350mg/kg)   Japanese Kokai Tokyo Koho Patents. Vol. #92-235918,
mouse LD50 oral > 6gm/kg (6000mg/kg)   Japanese Kokai Tokyo Koho Patents. Vol. #92-235918,
rat LD50 intravenous 300mg/kg (300mg/kg)   Japanese Kokai Tokyo Koho Patents. Vol. #92-235918,
rat LD50 oral > 5gm/kg (5000mg/kg)   Japanese Kokai Tokyo Koho Patents. Vol. #92-235918,