N-Debenzoyl-N-(phenylacetyl)paclitaxel

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C48H53NO14
Molecular Weight	867.9327
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-Debenzoyl-N-(phenylacetyl)paclitaxel

Structure Search

SMILES

[H][C@@]12C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(C)=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](NC(=O)CC6=CC=CC=C6)C7=CC=CC=C7

InChI

InChIKey=ZNHNNRQMRNHUFB-AKSVVSKXSA-N

InChI=1S/C48H53NO14/c1-26-32(61-44(57)38(54)37(30-18-12-8-13-19-30)49-35(53)22-29-16-10-7-11-17-29)24-48(58)42(62-43(56)31-20-14-9-15-21-31)40-46(6,33(52)23-34-47(40,25-59-34)63-28(3)51)41(55)39(60-27(2)50)36(26)45(48,4)5/h7-21,32-34,37-40,42,52,54,58H,22-25H2,1-6H3,(H,49,53)/t32-,33-,34+,37-,38+,39+,40-,42-,46+,47-,48+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C48H53NO14
Molecular Weight	867.9327
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 19:15:49 GMT 2023` Edited by `admin` on `Sat Dec 16 19:15:49 GMT 2023`
Record UNII	5EP3KY64RU
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

N-Debenzoyl-N-(phenylacetyl)paclitaxel

Common Name

English

Benzenepropanoic acid, α-hydroxy-β-[(phenylacetyl)amino]-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]

Systematic Name

English

Paclitaxel Impurity P [EP Impurity]

Common Name

English

Benzenepropanoic acid, α-hydroxy-β-[(phenylacetyl)amino]-, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2a

Systematic Name

English

(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-Bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl (αR,βS)-α-hydroxy-β-[(phenylacetyl)a

Systematic Name

English

Taxol F

Common Name

English

.4,10β-bis(acetyloxy)-1,7β-dihydroxy-13α-[[(2R,3S)-2-hydroxy-3-phenyl-3-(2-phenylacetamido)propanoyl]oxy]-9-oxo-5β,20-epoxytax-11-en-2α-yl benzoate

Common Name

English

Code System Code Type Description

CAS

173101-56-9

Created by admin on Sat Dec 16 19:15:50 GMT 2023 , Edited by admin on Sat Dec 16 19:15:50 GMT 2023

PRIMARY

PUBCHEM

44581538

Created by admin on Sat Dec 16 19:15:50 GMT 2023 , Edited by admin on Sat Dec 16 19:15:50 GMT 2023

PRIMARY

FDA UNII

5EP3KY64RU

Created by admin on Sat Dec 16 19:15:50 GMT 2023 , Edited by admin on Sat Dec 16 19:15:50 GMT 2023

PRIMARY

Related Record Type Details


					P88XT4IS4D

PACLITAXEL

PARENT -> IMPURITY

Amount: