(1R,2R)-1-Amino-2-(difluoromethyl)-N-[(1-methylcyclopropyl)sulfonyl]cyclopropanecarboxamide Hydrochloride - CAS 1360828-80-3
Catalog: |
BB008278 |
Product Name: |
(1R,2R)-1-Amino-2-(difluoromethyl)-N-[(1-methylcyclopropyl)sulfonyl]cyclopropanecarboxamide Hydrochloride |
CAS: |
1360828-80-3 |
Synonyms: |
(1R,2R)-1-amino-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonyl-1-cyclopropanecarboxamide;hydrochloride; (1R,2R)-1-amino-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;hydrochloride |
IUPAC Name: | (1R,2R)-1-amino-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;hydrochloride |
Description: | (1R,2R)-1-Amino-2-(difluoromethyl)-N-[(1-methylcyclopropyl)sulfonyl]cyclopropanecarboxamide Hydrochloride (CAS# 1360828-80-3) is an antiviral agent and a Glecaprevir (1365970-03-1) intermediate. |
Molecular Weight: | 304.74 |
Molecular Formula: | C9H15ClF2N2O3S |
Canonical SMILES: | CC1(CC1)S(=O)(=O)NC(=O)C2(CC2C(F)F)N.Cl |
InChI: | InChI=1S/C9H14F2N2O3S.ClH/c1-8(2-3-8)17(15,16)13-7(14)9(12)4-5(9)6(10)11;/h5-6H,2-4,12H2,1H3,(H,13,14);1H/t5-,9+;/m0./s1 |
InChI Key: | UZYZCUJUQSFVGK-XEDRIYAZSA-N |
LogP: | 2.94140 |
GHS Hazard Statement: | H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P264+P265, P280, P305+P354+P338, and P317 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
AU-2014370125-A1 | Synthesis of a macrocyclic HCV NS3 inhibiting tripeptide | 20131223 |
AU-2014370125-B2 | Synthesis of a macrocyclic HCV NS3 inhibiting tripeptide | 20131223 |
CA-2934049-A1 | Crystalline forms of a macrocyclic hcv ns3 inhibiting tripeptide | 20131223 |
CA-2934537-A1 | Synthesis of a macrocyclic hcv ns3 inhibiting tripeptide | 20131223 |
EP-3087085-A1 | Synthesis of a macrocyclic hcv ns3 inhibiting tripeptide | 20131223 |
Complexity: | 455 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 304.0459975 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 304.0459975 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 97.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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