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213819-48-8

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Basic Information
CAS No.: 213819-48-8
Name: Camtobell hydrochloride
Molecular Structure:
Molecular Structure of 213819-48-8 (Camtobell hydrochloride)
Formula: C25H27 N3 O4 . Cl H
Molecular Weight: 469.968
Synonyms: 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione,4-ethyl-4-hydroxy-11-[2-[(1-methylethyl)amino]ethyl]-, monohydrochloride, (4S)-(9CI); Belotecan hydrochloride; CKD 602
Density: g/cm3
Boiling Point: 772.4°Cat760mmHg
Flash Point: 420.9°C
PSA: 93.45000
LogP: 3.81300
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Chemistry

Molecular structure of Camtobell hydrochloride (CAS NO.213819-48-8) is:

Product Name: Camtobell hydrochloride
CAS Registry Number: 213819-48-8
Molecular Weight: 469.96052 [g/mol]  
Molecular Formula: C25H28ClN3O4  
H-Bond Donor: 3  
H-Bond Acceptor: 6
Flash Point: 420.9 °C 
Enthalpy of Vaporization: 117.95 kJ/mol 
Boiling Point: 772.4 °C at 760 mmHg 
Vapour Pressure: 4.21E-25 mmHg at 25 °C
Classification Code: Antineoplastic (DNA topoisomerase I inhibitor)
Canonical SMILES: CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)CCNC(C)C)O.Cl
Isomeric SMILES: CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)CCNC(C)C)O.Cl
InChI: InChI=1S/C25H27N3O4.ClH/c1-4-25(31)19-11-21-22-17(12-28(21)23(29)18(19)13-32-24(25)30)15(9-10-26-14(2)3)16-7-5-6-8-20(16)27-22;/h5-8,11,14,26,31H,4,9-10,12-13H2,1-3H3;1H/t25-;/m0./s1 
InChIKey: SJKBXKKZBKCHET-UQIIZPHYSA-N

Specification

 Camtobell hydrochloride , its cas register number is 213819-48-8. It also can be called (S)-4-Ethyl-4-hydroxy-11-[2-(isopropylamino)ethyl]-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14-dione hydrochloride .