Exatecan

Exatecan: Exatecan

IUPAC name

(1S,9S)-1-Amino-9-ethyl-5-fluoro-1,2,3,9,12,15-hexahydro-9-hydroxy-4-methyl-10H,13H-benzo(de)pyrano(3',4':6,7)indolizino(1,2-b)quinoline-10,13-dione

Identifiers

CAS number 171335-80-1

PubChem 151115

ChemSpider 133194^Y

Jmol-3D images Image 1
Image 2

SMILES

CCC1(C2=C(COC1=O)C(=O)N3CC4=C5C(CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)N)O
Fc2c(c6c1c(c5c(nc1c2)C=3N(C(=O)\C4=C(/C=3)[C@](O)(C(=O)OC4)CC)C5)[C@@H](N)CC6)C

InChI

InChI=1S/C24H22FN3O4/c1-3-24(31)14-6-18-21-12(8-28(18)22(29)13(14)9-32-23(24)30)19-16(26)5-4-11-10(2)15(25)7-17(27-21)20(11)19/h6-7,16,31H,3-5,8-9,26H2,1-2H3/t16-,24-/m0/s1^Y
Key: ZVYVPGLRVWUPMP-FYSMJZIKSA-N^Y
InChI=1/C24H22FN3O4/c1-3-24(31)14-6-18-21-12(8-28(18)22(29)13(14)9-32-23(24)30)19-16(26)5-4-11-10(2)15(25)7-17(27-21)20(11)19/h6-7,16,31H,3-5,8-9,26H2,1-2H3/t16-,24-/m0/s1
Key: ZVYVPGLRVWUPMP-FYSMJZIKBW

Properties

Molecular formula C₂₄H₂₂FN₃O₄

Molar mass 435.447583

Y (verify) (what is: Y/N?)
Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa)

Infobox references

Exatecan is a drug which is an analogue of camptothecin.

Synthesis

References

H. Terasawa, A. Ejima, S. Ohsuki, K. Uoto, U.S. Patent 5,834,476 (1998).

Categories:
Topoisomerase inhibitors
Biochemistry stubs

Exatecan

IUPAC name (1S,9S)-1-Amino-9-ethyl-5-fluoro-1,2,3,9,12,15-hexahydro-9-hydroxy-4-methyl-10H,13H-benzo(de)pyrano(3',4':6,7)indolizino(1,2-b)quinoline-10,13-dione
Identifiers
CAS number	171335-80-1
PubChem	151115
ChemSpider	133194^Y
Jmol-3D images	Image 1 Image 2
SMILES CCC1(C2=C(COC1=O)C(=O)N3CC4=C5C(CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)N)O Fc2c(c6c1c(c5c(nc1c2)C=3N(C(=O)\C4=C(/C=3)[C@](O)(C(=O)OC4)CC)C5)[C@@H](N)CC6)C
InChI InChI=1S/C24H22FN3O4/c1-3-24(31)14-6-18-21-12(8-28(18)22(29)13(14)9-32-23(24)30)19-16(26)5-4-11-10(2)15(25)7-17(27-21)20(11)19/h6-7,16,31H,3-5,8-9,26H2,1-2H3/t16-,24-/m0/s1^Y Key: ZVYVPGLRVWUPMP-FYSMJZIKSA-N^Y InChI=1/C24H22FN3O4/c1-3-24(31)14-6-18-21-12(8-28(18)22(29)13(14)9-32-23(24)30)19-16(26)5-4-11-10(2)15(25)7-17(27-21)20(11)19/h6-7,16,31H,3-5,8-9,26H2,1-2H3/t16-,24-/m0/s1 Key: ZVYVPGLRVWUPMP-FYSMJZIKBW
Properties
Molecular formula	C₂₄H₂₂FN₃O₄
Molar mass	435.447583
Y (verify) (what is: Y/N?) Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa)
Infobox references

Игры ⚽ Поможем сделать НИР

exatecan mesylate — An anticancer drug that is a type of topoisomerase inhibitor. Also called DX 8951f … English dictionary of cancer terms
Camptothecin — Systematic (IUPAC) name (S) 4 ethyl 4 hydroxy 1H pyrano[3 ,4 :6,7]indolizino[1,2 b] quinoline 3,14 (4H,12H) dione Clinical data … Wikipedia
Camptothecin — Strukturformel Allgemeines Name Camptothecin Andere Namen … Deutsch Wikipedia
List of oncology-related terms — This is a list of terms related to oncology. The original source for this list was the U.S. National Cancer Institute s public domain Dictionary of Cancer Terms . NOTOC 1 * 10 propargyl 10 deazaaminopterin * 12 O tetradecanoylphorbol 13 acetate * … Wikipedia
DX-8951f — An anticancer drug that is a type of topoisomerase inhibitor. Also called exatecan mesylate … English dictionary of cancer terms

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