sodium 2-(4-{4,7,11-trihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}pentanamido)ethane-1-sulfonate

Compound number:
MolPort-046-033-771
CAS number: 145-42-6
IUPAC:
sodium 2-(4-{4,7,11-trihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}pentanamido)ethane-1-sulfonate
IUPAC traditional:
sodium 2-(4-{4,7,11-trihydroxy-9a,11a-dimethyl-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl}pentanamido)ethanesulfonate
SMILES:
[Na+].CC(CCC(=O)NCCS([O-])(=O)=O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C
InChI key:
JAJWGJBVLPIOOH-UHFFFAOYSA-M
Molecular formula:
C26H44NNaO7S
Molecular weight: 537.69

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S&H to USA: 30.00 USD
S&H to World: 50.00 USD

Supplier Catalogue Data


Catalog: Screening compound Ships out: 7 business days Purity: n/a
Last updated: > 3 months ago In warehouse: 965.80 mg
Pack size Ships out Price Qty
25 mg July 5, 2019 50.00 USD
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S&H to USA: 150.00 USD
S&H to World: 150.00 USD

Supplier Catalogue Data


Catalog: Building blocks Ships out: 10 business days Purity: 95+%
Last updated: 3 months ago In warehouse: Unverified Salt: Na+
Pack size Ships out Price Qty
0.5 g July 10, 2019 50.00 USD
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1 g July 10, 2019 60.00 USD
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5 g July 10, 2019 190.00 USD
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More Information

Compound Identifiers
Compound number: MolPort-046-033-771
CAS number: 145-42-6

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000257591795
ZINC000257591796
ZINC000257591797
ZINC000257591798
2-[(3,7,12-trihydroxy-24-oxocholan-24-yl)amino]ethanesulfonate sodium salt
Sodium taurocholate
Sodium taurocholate hydrate
Taurocholate Sodium

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
InChI key: JAJWGJBVLPIOOH-UHFFFAOYSA-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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