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Basic Information
CAS No.: 192329-42-3
Name: Prinomastat
Molecular Structure:
Molecular Structure of 192329-42-3 (Prinomastat)
Formula: C18H21 N3 O5 S2
Molecular Weight: 423.51
Synonyms: 3-Thiomorpholinecarboxamide,N-hydroxy-2,2-dimethyl-4-[[4-(4-pyridinyloxy)phenyl]sulfonyl]-, (S)-; AG 3340;KB-R 9896; Prinomastat
Density: 1.377g/cm3
Melting Point: 149.8°
Boiling Point: °Cat760mmHg
Flash Point: °C
Hazard Symbols: T
Risk Codes: 60-61
Safety: 53-45
PSA: 146.00000
LogP: 4.12300
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Chemistry

Molecular Structure of Prinomastat (CAS No.192329-42-3):

Molecular Formula: C18H21N3O5S2  
Molecular Weight: 423.5064
CAS No: 192329-42-3
IUPAC Name: 2-[(Hydroxyamino)methyl]-5,6-dimethyl-4-(4-pyridin-4-yloxyphenyl)sulfonylmorpholine-3-thione  
H bond acceptors: 8
H bond donors: 2
Freely Rotating Bonds: 6
Polar Surface Area: 122.72 Å2
Index of Refraction: 1.615
Molar Refractivity: 107.37 cm3
Molar Volume: 307.5 cm3
Surface Tension: 57.1 dyne/cm
Density: 1.377 g/cm3
InChI: InChI=1/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1
InChIKey: YKPYIPVDTNNYCN-INIZCTEOBT
Std. InChI: InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1
Std. InChIKey: YKPYIPVDTNNYCN-INIZCTEOSA-N
Classification Code: Antiangiogenic;Antineoplastic;Matrix metalloproteinase inhibitor;Treatment for retinal and subfoveal choroidal neovascularization;[matrix metalloproteinase inhibitor]

Specification

   Prinomastat (CAS No.192329-42-3), its synonyms are (3S)-N-Hydroxy-2,2-dimethyl-4-{[4-(pyridin-4-yloxy)phenyl]sulfonyl}thiomorpholine-3-carboxamide ; (S)-2,2-Dimethyl-4-[[p-(4-pyridyloxy)phenyl]sulfonyl]-3-thiomorpholinecarbohydroxamic Acid ; (S)-N-Hydroxy-2,2-dimethyl-4-[[4-(4-pyridinyloxy)phenyl]sulfonyl]-3-thiomorpholinecarboxamide ; 3-Thiomorpholinecarboxamide, N-hydroxy-2,2-dimethyl-4-((4-(4-pyridinyloxy)phenyl)sulfonyl)-, (S)- ; 3-thiomorpholinecarboxamide, N-hydroxy-2,2-dimethyl-4-[[4-(4-pyridinyloxy)phenyl]sulfonyl]-,(3S)- ; (S)-2,2-Dimethyl-4-[4-(pyridin-4-yloxy)-benzenesulfonyl]-thiomorpholine-3-carboxylic acid hydroxyamide