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Ro 32-3555

CAT: 0572-TRC-R700905-2.5MGSize: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-R700905-2.5MGSize:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
190648-49-8
Synonyms
(alphaR,betaR)-beta-(Cyclopentylmethyl)-N-hydroxy-gamma-oxo-alpha-[(3,4,4-trimethyl-2,5-dioxo-1-imidazolidinyl)methyl]-1-piperidinebutanamide; Cipemastat; Ro 32-3555/000; Trocade; Ro 32-3555
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
CN1C(=O)N(C[C@@H]([C@@H](CC2CCCC2)C(=O)N3CCCCC3)C(=O)NO)C(=O)C1(C)C
Molecular Formula
C22H36N4O5
Molecular Weight
436.55
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Trocade

Cipemastat is a small molecule drug. The usage of the INN stem '-mastat' in the name indicates that Cipemastat is a matrix metalloproteinase inhibitor. Cipemastat has a monoisotopic molecular weight of 436.27 Da.

CAS Number190648-49-8
PubChem CID9824350
IUPAC Name(2R,3R)-3-(cyclopentylmethyl)-N-hydroxy-4-oxo-4-piperidin-1-yl-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanamide
Molecular FormulaC22H36N4O5
Molecular Weight436.5
XLogP1.6
Topological Polar Surface Area110
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity713
SMILES
CC1(C(=O)N(C(=O)N1C)C[C@@H]([C@@H](CC2CCCC2)C(=O)N3CCCCC3)C(=O)NO)C
InChI
InChI=1S/C22H36N4O5/c1-22(2)20(29)26(21(30)24(22)3)14-17(18(27)23-31)16(13-15-9-5-6-10-15)19(28)25-11-7-4-8-12-25/h15-17,31H,4-14H2,1-3H3,(H,23,27)/t16-,17+/m1/s1
InChIKey
GFUITADOEPNRML-SJORKVTESA-N
Chemical Structure
2D Structure
2D structure of Trocade
CAS: 190648-49-8
CID: 9824350
Formula: C22H36N4O5
MW: 436.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight436.5
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass436.26857026
Monoisotopic Mass436.26857026
Topological Polar Surface Area110 Ų
Heavy Atom Count31
Formal Charge0
Complexity713
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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