EXATECAN MESYLATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H22FN3O4.CH4O3S.2H2O
Molecular Weight	567.584
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.O.CS(O)(=O)=O.CC[C@@]1(O)C(=O)OCC2=C1C=C3N(CC4=C3N=C5C=C(F)C(C)=C6CC[C@H](N)C4=C56)C2=O

InChI

InChIKey=FXQZOHBMBQTBMJ-MWPGLPCQSA-N

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/t16-,24-;;;/m0.../s1

HIDE SMILES / InChI

Molecular Formula	C24H22FN3O4
Molecular Weight	435.4476
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	CH4O3S
Molecular Weight	96.106
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:59:24 UTC 2023` Edited by `admin` on `Fri Dec 15 15:59:24 UTC 2023`
Record UNII	D2VJ1CC26Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

EXATECAN MESYLATE

Official Name

English

EXATECAN METHANESULFONATE DIHYDRATE

Common Name

English

DX-8951F

Code

English

EXATECAN MESILATE HYDRATE [JAN]

Common Name

English

EXATECAN MESILATE DIHYDRATE

Common Name

English

EXATECAN MESILATE HYDRATE

Common Name

English

(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

Common Name

English

(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

Common Name

English

EXATECAN MESYLATE [USAN]

Common Name

English

(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

Common Name

English

Exatecan mesilate dihydrate [WHO-DD]

Common Name

English

EXATECAN METHANESULFONATE DIHYDRATE [MI]

Common Name

English

(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

Common Name

English

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)

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C2843