10-DEACETYL-3'-DEBENZOYLPACLITAXEL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C38H45NO12
Molecular Weight	707.7634
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 10-DEACETYL-3'-DEBENZOYLPACLITAXEL

Structure Search

SMILES

[H][C@@]12C[C@H](O)[C@@]3(C)C(=O)[C@H](O)C4=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)C5=CC=CC=C5)[C@]3([H])[C@@]1(CO2)OC(C)=O)C4(C)C)OC(=O)[C@H](O)[C@@H](N)C6=CC=CC=C6

InChI

InChIKey=QCOGLDHTESFSPY-BFLUDPMCSA-N

InChI=1S/C38H45NO12/c1-19-23(49-34(46)29(43)27(39)21-12-8-6-9-13-21)17-38(47)32(50-33(45)22-14-10-7-11-15-22)30-36(5,31(44)28(42)26(19)35(38,3)4)24(41)16-25-37(30,18-48-25)51-20(2)40/h6-15,23-25,27-30,32,41-43,47H,16-18,39H2,1-5H3/t23-,24-,25+,27-,28+,29+,30-,32-,36+,37-,38+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C38H45NO12
Molecular Weight	707.7634
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 15:42:05 GMT 2023` Edited by `admin` on `Sat Dec 16 15:42:05 GMT 2023`
Record UNII	EG6AN1S5YT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

10-DEACETYL-3'-DEBENZOYLPACLITAXEL

Common Name

English

N-DEBOC-DOCETAXEL

Common Name

English

10-DEACETYLBACCATIN III 13-[.BETA.(S)-AMINO-.ALPHA.(R)-HYDROXYPHENYLPROPIONATE]

Common Name

English

BENZENEPROPANOIC ACID, .BETA.-AMINO-.ALPHA.-HYDROXY-, (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-

Common Name

English

Code System Code Type Description

CAS

133524-69-3

Created by admin on Sat Dec 16 15:42:05 GMT 2023 , Edited by admin on Sat Dec 16 15:42:05 GMT 2023

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PUBCHEM

11422650

Created by admin on Sat Dec 16 15:42:05 GMT 2023 , Edited by admin on Sat Dec 16 15:42:05 GMT 2023

PRIMARY

FDA UNII

EG6AN1S5YT

Created by admin on Sat Dec 16 15:42:05 GMT 2023 , Edited by admin on Sat Dec 16 15:42:05 GMT 2023

PRIMARY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Biological Half-life	PHARMACOKINETIC