calcium 3-acetamido(²H₆)propane-1-sulfonate

Compound number:
MolPort-039-052-237
CAS number: 1225580-91-5
IUPAC:
calcium 3-acetamido(²H₆)propane-1-sulfonate
IUPAC traditional:
calcium 3-acetamido(²H₆)propane-1-sulfonate
SMILES:
[Ca++].[2H]C([2H])(NC(C)=O)C([2H])([2H])C([2H])([2H])S([O-])(=O)=O
InChI key:
WPEXQWVYZZXPJW-RYKMJATISA-M
Molecular formula:
C5H10CaNO4S
Molecular weight: 226.31
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Supplier Catalogue Data


Catalog: Screening compound Ships out: 5 business days Purity: N/A
Last updated: last month In warehouse: Unverified
Pack size Ships out Price Qty
1 mg September 30, 2019 188.80 USD
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S&H to USA: 80.00 USD
S&H to World: 150.00 USD

Supplier Catalogue Data


Catalog: Screening compound Ships out: 10 business days Purity: n/a
Last updated: 3 months ago In warehouse: Unverified
Pack size Ships out Price Qty
1 mg October 7, 2019 140.00 USD
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10 mg October 7, 2019 410.00 USD
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50 mg October 7, 2019 1750.00 USD
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More Information

Compound Identifiers
Compound number: MolPort-039-052-237
CAS number: 1225580-91-5

Names, Synonyms and 3rd Party Identifiers
Acamprosate - d6 calcium
Acamprosate-d12 Calcium (dipropyl-d12)

InChI
InChI: 1S/C5H11NO4S.Ca/c1-5(7)6-3-2-4-11(8,9)10;/h2-4H2,1H3,(H,6,7)(H,8,9,10);/q;+2/p-1/i2D2,3D2,4D2;
InChI key: WPEXQWVYZZXPJW-RYKMJATISA-M

Calculated Properties
Molecular formula: C5H10CaNO4S
Molecular weight: 226.31

Other

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2019 MolPort, v3.17, release date 23-09-2019 12:00 (+0200). All rights reserved.
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