7-Ethylcamptothecin

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CAS Number

78287-27-1

MDL Number

MFCD31744506

Purity

98%

Smiles

CCc1c2CN3C(=O)C4=C(C=C3c2nc5ccccc15)[C@@](O)(CC)C(=O)OC4

Chemical Information

7-Ethylcamptothecin

7-ethylcamptothecin is a pyranoindolizinoquinoline.

CAS Number	78287-27-1
PubChem CID	127584
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 Formula	C22H20N2O4
Molecular Weight	376.4
XLogP	1.8
Topological Polar Surface Area	79.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	28
Formal Charge	0
Complexity	787

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

CAS: 78287-27-1

CID: 127584

Formula: C22H20N2O4

MW: 376.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	376.4
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	376.14230712
Monoisotopic Mass	376.14230712
Topological Polar Surface Area	79.7 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	787
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR01801	7-Bromooct-7-enenitrile
OR54331-01	7-Azaindole 7-oxide
BUP06642-01	7-Cyano-7-deazaguanine
OR2959	7-Chlorooct-7-enenitrile
OR1027958-01	7-Methyloctyl 7-Methyloctanoate
OR01806	7-Methyloct-7-enenitrile
OR90529-01	7-Methoxy-7-oxoheptanoic acid
OR1049856-01	7- (7-Aminoheptanamido) heptanoic acid
OR01822	Ethyl 7-bromooct-7-enoate
OR1002900-01	7-Methoxy-3,7-dimethyloctanal

Catalog	Name
TPC1080	7-Ethylcamptothecin
HY-N2108R-01	7-Ethylcamptothecin (Standard)
HY-W740221-01	7-Ethylcamptothecin-d3-1
TRC-D290840-1MG	20-Desethyl-20-methyl-10-hydroxy-7-ethylcamptothecin
X-LCP-105	7.7 MAG
TBZ1236	7,7α-Diepialexine
sc-390856	Dok-7 (A-7)
GTR18027105	7.7 Antibody
sc-398919	Siglec-7 (A-7)