7-Ethyl-10-hydroxycamptothecin

• CAS: 86639-52-3
• Catalog Number: ACM86639523
• Category: Main Products
• Molecular Weight: 392.4
• Molecular Formula: C22H20N2O5
• Synonyms: 7-10-Hydroxycamptothecin
• IUPAC Name: (19S)-10,19-diethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
• Canonical SMILES: CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O
• InChI: InChI=1S/C22H20N2O5/c1-3-12-13-7-11(25)5-6-17(13)23-19-14(12)9-24-18(19)8-16-15(20(24)26)10-29-21(27)22(16,28)4-2/h5-8,25,28H,3-4,9-10H2,1-2H3/t22-/m0/s1
• InChI Key: FJHBVJOVLFPMQE-QFIPXVFZSA-N
• Boiling Point: 810.3±65.0 °C
• Melting Point: 217 °C
• Density: 1.51±0.1 g/ml
• Appearance: Powder
• Complexity: 820
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 1
• Exact Mass: 392.13722174
• Heavy Atom Count: 29
• Hydrogen Bond Acceptor Count: 6
• Hydrogen Bond Donor Count: 2
• Isomeric SMILES: CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O
• Monoisotopic Mass: 392.13722174
• Physical State: Powder
• pKa: 9.13±0.40
• Refractive Index: 21.5 ° (C=0.2, THF)
• Rotatable Bond Count: 2
• Topological Polar Surface Area: 100 Ų

Custom Q&A

What is the chemical name of the compound with the synonym 7-Ethyl-10-hydroxycamptothecin?

The chemical name is 4,11-Diethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione.

What is the CAS number of 7-Ethyl-10-hydroxycamptothecin?

The CAS number is 130144-34-2.

What is the molecular formula of 7-Ethyl-10-hydroxycamptothecin?

The molecular formula is C22H20N2O5.

What is the molecular weight of 7-Ethyl-10-hydroxycamptothecin?

The molecular weight is 392.4.

What is the predicted boiling point of 7-Ethyl-10-hydroxycamptothecin?

The predicted boiling point is 810.3±65.0 °C.

What is the density of 7-Ethyl-10-hydroxycamptothecin?

The density is 1.51.

What is the pka value of 7-Ethyl-10-hydroxycamptothecin?

The pka value is 9.13±0.40.

How is 7-Ethyl-10-hydroxycamptothecin defined in ChEBI?

It is defined as LSM-6189, a pyranoindolizinoquinoline.

Is 7-Ethyl-10-hydroxycamptothecin commonly known by any other names?

Yes, it is also known as rac-7-Ethyl-10-Hydroxy camptothecin, rac-4,11-Diethyl-9-hydroxycamptothecin, and Camptothecin Impurity 21.

Synthetic Use

Upstream Synthesis Route 1

• 97682-44-5

• 4897-50-1
• 86639-52-3

Reference: [1] Journal of Medicinal Chemistry, 2009, vol. 52, # 12, p. 3742 - 3752

Upstream Synthesis Route 2

• 35364-15-9
• 110351-94-5

• 86639-52-3

Reference: [1]Synthetic Communications,2013,vol. 43,p. 1661 - 1667

Upstream Synthesis Route 3

• 86639-53-4

• 86639-52-3

Reference: [1]Patent: CN108570057,2018,A .Location in patent: Paragraph 0021; 0027-0028; 0037-0038; 0045-0046

Downstream Synthesis Route 1

• 4897-50-1
• 86639-52-3

• 100286-90-6

Reference: [1] Patent: WO2006/84940, 2006, A1, . Location in patent: Page/Page column 5-6

Downstream Synthesis Route 2

• 86639-52-3

• 100286-90-6

Reference: [1] Patent: WO2006/82279, 2006, A1, . Location in patent: Page/Page column 6-7

Downstream Synthesis Route 3

• 103816-19-9
• 86639-52-3

• 97682-44-5

Reference: [1]Patent: US2011/144342,2011,A1 .Location in patent: Page/Page column 7

* For details of the synthesis route, please refer to the original source to ensure accuracy.