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7-Ethyl Camptothecin

CAT: 0572-TRC-E900830-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-E900830-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
78287-27-1
Synonyms
1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4,11-diethyl-4-hydroxy-, (4S)-; 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4,11-diethyl-4-hydroxy-, (S)-; 7-Ethyl-20(S)-camptothecin; 7-Ethylcamptothecin; SN 22; Irinotecan Related Compound E; Irinotecan Hydrochloride Trihydrate Impurity F; Irinotecan Impurity F
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
CCc1c2CN3C(=O)C4=C(C=C3c2nc5ccccc15)[C@@](O)(CC)C(=O)OC4
Molecular Formula
C22 H20 N2 O4
Molecular Weight
376.41
InChI
InChI=1S/C22H20N2O4/c1-3-12-13-7-5-6-8-17(13)23-19-14(12)10-24-18(19)9-16-15(20(24)25)11-28-21(26)22(16,27)4-2/h5-9,27H,3-4,10-11H2,1-2H3/t22-/m0/s1
Additionnal Information
IUPAC name: (4S)-4,11-Diethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

7-Ethylcamptothecin

7-ethylcamptothecin is a pyranoindolizinoquinoline.

CAS Number78287-27-1
PubChem CID127584
IUPAC Name(19S)-10,19-diethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
Molecular FormulaC22H20N2O4
Molecular Weight376.4
XLogP1.8
Topological Polar Surface Area79.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count28
Formal Charge0
Complexity787
SMILES
CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=CC=CC=C51
InChI
InChI=1S/C22H20N2O4/c1-3-12-13-7-5-6-8-17(13)23-19-14(12)10-24-18(19)9-16-15(20(24)25)11-28-21(26)22(16,27)4-2/h5-9,27H,3-4,10-11H2,1-2H3/t22-/m0/s1
InChIKey
MYQKIWCVEPUPIL-QFIPXVFZSA-N
Chemical Structure
2D Structure
2D structure of 7-Ethylcamptothecin
CAS: 78287-27-1
CID: 127584
Formula: C22H20N2O4
MW: 376.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight376.4
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass376.14230712
Monoisotopic Mass376.14230712
Topological Polar Surface Area79.7 Ų
Heavy Atom Count28
Formal Charge0
Complexity787
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes