sodium (4bS,8R,8aR)-8-carboxy-4b,8-dimethyl-2-(propan-2-yl)-4b,5,6,7,8,8a,9,10-octahydrophenanthrene-3-sulfonate



Compound number:
MolPort-006-167-829
CAS number: 86408-72-2
IUPAC:
sodium (4bS,8R,8aR)-8-carboxy-4b,8-dimethyl-2-(propan-2-yl)-4b,5,6,7,8,8a,9,10-octahydrophenanthrene-3-sulfonate
IUPAC traditional:
sodium (4bS,8R,8aR)-8-carboxy-2-isopropyl-4b,8-dimethyl-5,6,7,8a,9,10-hexahydrophenanthrene-3-sulfonate
SMILES:
[Na+].CC(C)c1cc2CC[C@H]3[C@@](C)(CCC[C@]3(C)c2cc1S([O-])(=O)=O)C(O)=O
InChI key:
RCVIHORGZULVTN-YGJXXQMASA-M
Molecular formula:
C20H27NaO5S
Molecular weight: 402.48
Solubility: not available

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Catalog: Screening compound Ships out: 3 business days Purity: 97.68%
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Catalog: Screening compound Ships out: 6 business days Purity: n/a
Last updated: 3 months ago In warehouse: Unverified Salt: sodium salt
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25 mg January 26, 2021 122.55 USD
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Catalog: Screening compound Ships out: 20 business days Purity: >=98%
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10 mg February 15, 2021 101.91 USD
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25 mg February 15, 2021 225.75 USD
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More Information

Compound Identifiers
Compound number: MolPort-006-167-829
CAS number: 86408-72-2

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000003779720
MFCD00866896
(1R,4aS,10aR)-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-6-sulfo-1-phenanthrenecarboxylic acid, monosodium salt
Ecabet sodium
TA-2711, TA-2711E

InChI
InChI: 1S/C20H28O5S.Na/c1-12(2)14-10-13-6-7-17-19(3,8-5-9-20(17,4)18(21)22)15(13)11-16(14)26(23,24)25;/h10-12,17H,5-9H2,1-4H3,(H,21,22)(H,23,24,25);/q;+1/p-1/t17-,19-,20-;/m1./s1
InChI key: RCVIHORGZULVTN-YGJXXQMASA-M

Calculated Properties
Molecular formula: C20H27NaO5S
Molecular weight: 402.48

Other

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