Sudocetaxel

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C47H57NO17
Molecular Weight	907.952
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12[C@H](OC(=O)C3=CC=CC=C3)[C@]4(O)C[C@H](OC(=O)[C@H](OC(=O)CCC(O)=O)[C@@H](NC(=O)OC(C)(C)C)C5=CC=CC=C5)C(C)=C([C@@H](O)C(=O)[C@]1(C)[C@@H](O)C[C@H]6OC[C@@]26OC(C)=O)C4(C)C

InChI

InChIKey=LNKYWHXCKVSEBC-FRAIECQRSA-N

InChI=1S/C47H57NO17/c1-24-28(61-41(57)36(62-32(53)20-19-31(51)52)34(26-15-11-9-12-16-26)48-42(58)65-43(3,4)5)22-47(59)39(63-40(56)27-17-13-10-14-18-27)37-45(8,38(55)35(54)33(24)44(47,6)7)29(50)21-30-46(37,23-60-30)64-25(2)49/h9-18,28-30,34-37,39,50,54,59H,19-23H2,1-8H3,(H,48,58)(H,51,52)/t28-,29-,30+,34-,35+,36+,37-,39-,45+,46-,47+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C47H57NO17
Molecular Weight	907.952
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	11 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:19:11 UTC 2023` Edited by `admin` on `Sat Dec 16 17:19:11 UTC 2023`
Record UNII	MLQ4KNR245
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Sudocetaxel

Official Name

English

1-((1R,2S)-1-((((2AR,4S,4AS,6R,9S,11S,12S,12AR,12BS)-12B-(ACETYLOXY)-12-(BENZOYLOXY)-2A,3,4,4A,5,6,9,10,11,12,12A,12B-DODECAHYDRO-4,6,11-TRIHYDROXY-4A,8,13,13-TETRAMETHYL-5-OXO-7,11-METHANO-1H-CYCLODECA(3,4)BENZ(1,2-B)OXET-9-YL)OXY)CARBONYL)-2-(((1,1-DIM

Systematic Name

English

TH-1902 PAYLOAD

Code

English

TH1902 PAYLOAD

Code

English

DOCETAXEL 2'-HEMISUCCINATE

Common Name

English

SUDOCETAXEL [USAN]

Common Name

English

Butanedioic acid, 1-[(1R,2S)-1-[[[(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl]oxy]carb

Systematic Name

English

Code System Code Type Description

USAN

LM-55