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: last month In warehouse: Unverified
Pack size Ships out Price Qty
1 g July 24, 2019 37.76 USD
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5 g July 24, 2019 139.24 USD
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10 g July 24, 2019 240.72 USD
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S&H to USA: 35.00 USD
S&H to World: 125.00 USD

Supplier Catalogue Data


Catalog: Building blocks Ships out: 7 business days Purity: 98%
Last updated: this month In warehouse: Unverified
Pack size Ships out Price Qty
250 mg July 5, 2019 59.00 USD
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1 g July 5, 2019 93.00 USD
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5 g July 5, 2019 137.00 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: 209.86 g
Pack size Ships out Price Qty
1 g July 5, 2019 23.00 USD
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5 g July 5, 2019 58.00 USD
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10 g July 5, 2019 97.00 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: 95%
Last updated: last month In warehouse: Unverified
Pack size Ships out Price Qty
1 g July 10, 2019 33.00 USD
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5 g July 10, 2019 103.00 USD
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25 g July 10, 2019 446.00 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: last month In warehouse: Unverified
Pack size Ships out Price Qty
250 mg July 10, 2019 87.00 USD
ADD TO CART
1 g July 10, 2019 129.00 USD
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5 g July 10, 2019 186.00 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-[[(3??,5??,7??,12??)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]-, sodium salt (1:1)
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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2019 MolPort, v3.03, release date 21-06-2019 17:00 (+0200). All rights reserved.
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