10-Hydroxycamptothecin

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Catalog Number
ACM19685097
Product Name
10-Hydroxycamptothecin
Structure
Structure
CAS
19685-09-7
Category
Heterocyclic Organic Compound
Synonyms
(4S)-4,9-Dihydroxy-4-ethyl-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione
IUPAC Name
(19S)-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione
Molecular Weight
364.35
Molecular Formula
C20H16N2O5
Canonical SMILES
CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=CC5=C4)O)O
InChI
InChI=1S/C20H16N2O5/c1-2-20(26)14-7-16-17-11(5-10-6-12(23)3-4-15(10)21-17)8-22(16)18(24)13(14)9-27-19(20)25/h3-7,23,26H,2,8-9H2,1H3/t20-/m0/s1
InChI Key
HAWSQZCWOQZXHI-FQEVSTJZSA-N
Boiling Point
820.7±65.0 °C
Melting Point
265-270 °C
Density
1.6 g/ml
Appearance
Powder
Complexity
774
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
1
Exact Mass
364.10592162
Heavy Atom Count
27
Hydrogen Bond Acceptor Count
6
Hydrogen Bond Donor Count
2
Isomeric SMILES
CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=CC5=C4)O)O
Monoisotopic Mass
364.10592162
Physical State
Solid
pKa
8.93±0.40
Rotatable Bond Count
1
Topological Polar Surface Area
100
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