TAFLUPOSIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C45H35F10O20P
Molecular Weight	1116.7052
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12COC(=O)[C@]1([H])[C@H](C3=CC(OC)=C(OP(O)(O)=O)C(OC)=C3)C4=C(C=C5OCOC5=C4)[C@@]2([H])O[C@@H]6O[C@]7([H])CO[C@@H](C)O[C@@]7([H])[C@H](OC(=O)COC8=C(F)C(F)=C(F)C(F)=C8F)[C@H]6OC(=O)COC9=C(F)C(F)=C(F)C(F)=C9F

InChI

InChIKey=RTJVUHUGTUDWRK-CSLCKUBZSA-N

InChI=1S/C45H35F10O20P/c1-13-64-9-22-39(70-13)42(72-23(56)10-65-40-33(52)29(48)27(46)30(49)34(40)53)43(73-24(57)11-66-41-35(54)31(50)28(47)32(51)36(41)55)45(71-22)74-37-16-7-19-18(68-12-69-19)6-15(16)25(26-17(37)8-67-44(26)58)14-4-20(62-2)38(21(5-14)63-3)75-76(59,60)61/h4-7,13,17,22,25-26,37,39,42-43,45H,8-12H2,1-3H3,(H2,59,60,61)/t13-,17+,22-,25-,26+,37-,39-,42+,43-,45+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C45H35F10O20P
Molecular Weight	1116.7052
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:27:11 UTC 2023` Edited by `admin` on `Fri Dec 15 16:27:11 UTC 2023`
Record UNII	QN043X3ZDW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TAFLUPOSIDE

Official Name

English

4-((5R,5AR,8AR,9S)-9-((4,6-O-((1R)-ETHYLIDENE)-2,3-BIS-O-((PENTAFLUOROPHENOXY)ACETYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-6-OXO-5,5A,6,8,8A,9-HEXAHYDROFURO(3',4':6,7)NAPHTHO(2,3-D)-1,3-DIOXOL-5-YL)-2,6-DIMETHOXYPHENYL DIHYDROGEN PHOSPHATE

Common Name

English

tafluposide [INN]

Common Name

English

F-11782

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C1748