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

Basic Information

View in Editor

CAS Number

197720-53-9

Molecular Formula

C25H30FN3O9S

Molecular Weight

567.59 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

View in Editor

CCC1(C2=C(COC1=O)C(=O)N3CC4=C5C(CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)N)O.CS(=O)(=O)O.O.O

InChI

InChI=1S/C24H22FN3O4.CH4O3S.2H2O/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;1-5(2,3)4;;/h6-7,16,31H,3-5,8-9,26H2,1-2H3;1H3,(H,2,3,4);2*1H2

InChIKey

FXQZOHBMBQTBMJ-UHFFFAOYSA-N

LogP

0.32772000000000007

Topological Polar Surface Area

224.80999999999997 Å²

Hydrogen Bond Donor/Acceptor

8 / 12

Complexity

1040

Synonyms & References

English

Exatecan mesilate, DX-8951f
(1s,9s)-1-Amino-9-ethyl-5-fluoro-9-hydroxy-4-methyl-2,3,9,10,13,15-hexahydro-1h,12h-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinoline-10,13-dione mesylate dihydrate
CS-0377110
(10S,23S)-23-amino-10-ethyl-18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;methanesulfonic acid;dihydrate
CHEMBL3989759
Exatecan mesilate hydrate (JAN)
(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 monomethanesulfonate (salt), dihydrate
HY-13631P
EX-A4327
Exatecan mesilate dihydrate
Exatecan methanesulfonate dihydrate
Exatecan mesylate [USAN]
DX-8951f
Q27276021
(1S-TRANS)-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 MONOMETHANESULPHONATE (SALT), DIHYDRATE
exatecan mesylate dihydrate
DTXSID20941547
Exatecan mesilate hydrate
10H,13H-BENZO(DE)PYRANO(3',4':6,7)INDOLIZINO(1,2-B)QUINOLINE-10,13-DIONE, 1-AMINO-9-ETHYL-5-FLUORO-1,2,3,9,12,15-HEXAHYDRO-9-HYDROXY-4-METHYL-, (1S,9S)-, METHANESULFONATE HYDRATE(1:1:2)
197720-53-9
UNII-D2VJ1CC26Q
Exatecan mesylate hydrate
(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 MONOMETHANESULPHONATE (SALT), DIHYDRATE
10H,13H-Benzo(de)pyrano(3'm4':6,7)indolizino(1,2-b)quinoline-10,13-dione, 1-amino-9-ethyl-5-fluoro-1,2,3,9,12,15-hexahydro-9-hydroxy-4-methyl-, (1S-trans)-, methanesulfonate (1:1) (salt), dihydrate
Exatecan (mesylate dihydrate)
EXATECAN METHANESULFONATE DIHYDRATE [MI]
CHEBI:31587
AC-36559
EXATECAN MESILATE HYDRATE [JAN]
D01432
(1S-trans)-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 monomethanesulfonate (salt), dihydrate