Structure

Cariporide

CAS
159138-80-4
Catalog Number
ACM159138804
Category
Other Products
Molecular Weight
283.35
Molecular Formula
C12H17N3O3S

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Specification

Synonyms
CARIPORIDE;N-(diaminomethylene)-4-isopropyl-3-mesyl-benzamide;N-[bis(azanyl)methylidene]-3-methylsulfonyl-4-propan-2-yl-benzamide;N-(Aminoiminomethyl)-4-(1-methylethyl)-3-(methylsulfonyl)benzamide;BenzaMide,N-(aMinoiMinoMethyl)-4-(1-Methylethyl)-3-(Methylsulfonyl)-
Density
1.34
What is the molecular formula of Cariporide?

The molecular formula of Cariporide is C12H17N3O3S.

What is the molecular weight of Cariporide?

The molecular weight of Cariporide is 283.35 g/mol.

What is the IUPAC name of Cariporide?

The IUPAC name of Cariporide is N-(diaminomethylidene)-3-methylsulfonyl-4-propan-2-ylbenzamide.

What is the InChIKey of Cariporide?

The InChIKey of Cariporide is IWXNYAIICFKCTM-UHFFFAOYSA-N.

What is the Canonical SMILES of Cariporide?

The Canonical SMILES of Cariporide is CC(C)C1=C(C=C(C=C1)C(=O)N=C(N)N)S(=O)(=O)C.

What is the CAS number of Cariporide?

The CAS number of Cariporide is 159138-80-4.

How many hydrogen bond donor counts does Cariporide have?

Cariporide has 2 hydrogen bond donor counts.

What is the XLogP3-AA value of Cariporide?

The XLogP3-AA value of Cariporide is 1.2.

How many rotatable bond counts does Cariporide have?

Cariporide has 3 rotatable bond counts.

What is the topological polar surface area of Cariporide?

The topological polar surface area of Cariporide is 124 Å2.

Upstream Synthesis Route 1

  • 167764-63-8
  • 50-01-1
  • 159138-80-4

Reference: [1] Patent: WO2005/79803, 2005, A1, . Location in patent: Page/Page column 41

Upstream Synthesis Route 2

  • 159139-34-1
  • 159138-80-4

Reference: [1] Patent: WO2005/79803, 2005, A1,

Upstream Synthesis Route 3

  • 536-66-3
  • 159138-80-4

Reference: [1] Patent: WO2005/79803, 2005, A1,

Upstream Synthesis Route 4

  • 167764-63-8
  • 50-01-1
  • 159138-80-4

Reference: [1]Patent: WO2005/79803,2005,A1 .Location in patent: Page/Page column 41

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