11-Ethyl Camptothecin

CAT: 0024-sc-213584Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-213584Size:10 mg

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CAS Number

185807-29-8

Chemical Information

11-Ethyl Camptothecin

CAS Number	185807-29-8
PubChem CID	29979717
IUPAC Name	(19S)-6,19-diethyl-19-hydroxy-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 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=CC2=NC3=C(CN4C3=CC5=C(C4=O)COC(=O)[C@@]5(CC)O)C=C2C=C1

InChI

InChI=1S/C22H20N2O4/c1-3-12-5-6-13-8-14-10-24-18(19(14)23-17(13)7-12)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

SGXXQRSXMWIURP-QFIPXVFZSA-N

Chemical Structure

2D Structure

CAS: 185807-29-8

CID: 29979717

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
sc-207171	7-Ethyl Camptothecin
sc-217437	7-Ethyl-d3-camptothecin
sc-200871	Camptothecin
sc-200871A	Camptothecin
sc-200871B	Camptothecin
sc-338592	Sodium Camptothecin
sc-486057	Ethyl 11-Bromoundecanoate
sc-218352	Ethyl 11-Ethoxycarbonyldodecanoate
sc-211439	Ethyl 11,14-Diepoxyeicosanoate
sc-24713	Jurkat + camptothecin Cell Lysate

Catalog	Name
275235-01	11-Ethyl camptothecin
011554	7-Ethyl Camptothecin
AR-C05865-01	Camptothecin Impurity 11
MBS6042913-01	7-Ethyl-d3-camptothecin
TRC-E900825-25MG	(R)-7-Ethyl Camptothecin
AR-C01139-01	(R) -7-Ethyl Camptothecin
M22862-01	7-Ethyl-10-Hydroxy-Camptothecin
RM-C162020-01	7-Ethyl-10-Hydroxy Camptothecin-D5
AR-C01130-01	7-Ethyl-10-Hydroxy Camptothecin-d3
AR-C01128-01	(S) -7-Ethyl-10-Hydroxy Camptothecin