CAS No. 336113-53-2

 

Product Information

Chemical Formula: C30H33ClN4O2
Molecular Weight:517.06
Synonyms:Ispinesib; N-(3-Aminopropyl)-N-[(1R)-1-[7-Chloro-3,4-Dihydro-4-Oxo-3-(Phenylmethyl)-2-Quinazolinyl]-2-Methylpropyl]-4-Methylbenzamide; Sb 715992; Benzamide, N-(3-Aminopropyl)-N-((1R)-1-(7-Chloro-3,4-Dihydro-4-Oxo-3-(Phenylmethyl)-2-Quinazolinyl)-2-Methylpropyl)-4-Methyl-; Unii-Bkt5F9C2Ni; Ispinesib2; Sb-71599; Ispinesib (Sb-715992 /Ck0238273)
MDL No.:MFCD22628831
EINECS / EC No.:N/A
Pubchem CID:6851740
IUPAC Name:N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]-4-methylbenzamide
Standard InchI:InChI=1S/C30H33ClN4O2/c1-20(2)27(34(17-7-16-32)29(36)23-12-10-21(3)11-13-23)28-33-26-18-24(31)14-15-25(26)30(37)35(28)19-22-8-5-4-6-9-22/h4-6,8-15,18,20,27H,7,16-17,19,32H2,1-3H3/t27-/m1/s1
InchI Key:QJZRFPJCWMNVAV-HHHXNRCGSA-N
SMILES:CC1=CC=C(C=C1)C(=O)N(CCCN)C(C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C
Appearance:-
Melting Point:N/A
Boiling Point:707.986 °C at 760 mmHg
Density (Theoretical):1.216 g/cm3
Refractive Index:1.619

Safety Information

Signal Word: Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338
Flash Point:381.976 °C
Transportation Information:N/A
GHS Pictograms:Exclamation Mark - GHS07