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sodium 2-[(4R)-4-[(1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11S,11aR)-4,7,11-trihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanamido]ethane-1-sulfonate

Compound number:
MolPort-006-111-053
CAS number: 145-42-6; 345909-26-4
IUPAC:
sodium 2-[(4R)-4-[(1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11S,11aR)-4,7,11-trihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanamido]ethane-1-sulfonate
IUPAC traditional:
sodium taurocholate
SMILES:
[Na+].C[C@H](CCC(=O)NCCS([O-])(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
InChI key:
JAJWGJBVLPIOOH-IZYKLYLVSA-M
Molecular formula:
C26H44NNaO7S
Molecular weight: 537.69

Marketplace Offers

Price range: from to USD Pack size: from to mg
In warehouse: from to mg Lead time: from to days
S&H to USA: 60.00 USD
S&H to World: 180.00 USD

Supplier Catalogue Data


Catalog: Screening compound Ships out: 20 business days Purity: >=95%
Last updated: this week In warehouse: Unverified
Pack size Ships out Price Qty
1 g April 18, 2019 30.72 USD
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5 g April 18, 2019 113.28 USD
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10 g April 18, 2019 195.84 USD
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S&H to USA: 90.00 USD
S&H to World: 95.00 USD

Supplier Catalogue Data


Catalog: Building blocks Ships out: 7 business days Purity: 98%
Last updated: last week In warehouse: 210.00 g
Pack size Ships out Price Qty
1 g April 1, 2019 62.00 USD
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5 g April 1, 2019 100.00 USD
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S&H to USA: 80.00 USD
S&H to World: 100.00 USD

Supplier Catalogue Data


Catalog: Building blocks Ships out: 10 business days Purity: 98%
Last updated: this week In warehouse: Unverified
Pack size Ships out Price Qty
250 mg April 4, 2019 46.00 USD
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1 g April 4, 2019 62.00 USD
ADD TO CART
5 g April 4, 2019 140.00 USD
ADD TO CART
S&H to USA: 80.00 USD
S&H to World: 100.00 USD

Supplier Catalogue Data


Catalog: Building blocks Ships out: 10 business days Purity: n/a
Last updated: last week In warehouse: Unverified
Pack size Ships out Price Qty
10 mg April 4, 2019 41.00 USD
ADD TO CART
50 mg April 4, 2019 74.00 USD
ADD TO CART
250 mg April 4, 2019 102.00 USD
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More Information

Compound Identifiers
Compound number: MolPort-006-111-053
CAS number: 145-42-6; 345909-26-4

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000008214684
MFCD00150819
2-[[(3?,5?,7?,12?)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]-ethanesulfonic acid, monosodium salt
2?-??[[(3?,?5?,?7?,?12?)?-??3,?7,?12?-??trihydroxy?-?24?-??oxocholan?-?24?-??yl]?amino]?-?ethanesulfonic acid, monosodium salt
Ethanesulfonic acid, 2-[[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]-, sodium salt (1:1)
Ethanesulfonic acid,2-[[(3a,5b,7a,12a)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]-,monosodium salt
Monosodium taurocholate
Taurocholic Acid (sodium salt)
Taurocholic acid sodium salt hydrate

InChI
InChI: 1S/C26H45NO7S.Na/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29;/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34);/q;+1/p-1/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-;/m1./s1
InChI key: JAJWGJBVLPIOOH-IZYKLYLVSA-M

Calculated Properties
Molecular formula: C26H44NNaO7S
Molecular weight: 537.69

Other

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2018 MolPort, v2.66, release date 05-03-2019 15:00 (+0200). All rights reserved.
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