PACLITAXEL CERIBATE

Details

Stereochemistry	EPIMERIC
Molecular Formula	C51H57NO18
Molecular Weight	971.9942
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@H](OC(=O)OCC(O)CO)[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)C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChIKey=HSUDWURBWSUCOB-JPHWUADUSA-N

InChI=1S/C51H57NO18/c1-27-34(67-46(61)39(57)38(30-16-10-7-11-17-30)52-44(59)31-18-12-8-13-19-31)23-51(63)43(69-45(60)32-20-14-9-15-21-32)41-49(6,42(58)40(66-28(2)54)37(27)48(51,4)5)35(68-47(62)64-25-33(56)24-53)22-36-50(41,26-65-36)70-29(3)55/h7-21,33-36,38-41,43,53,56-57,63H,22-26H2,1-6H3,(H,52,59)/t33?,34-,35-,36+,38-,39+,40+,41-,43-,49+,50-,51+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C51H57NO18
Molecular Weight	971.9942
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	10 / 12
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:53:47 UTC 2023` Edited by `admin` on `Fri Dec 15 18:53:47 UTC 2023`
Record UNII	B3C86E80A0
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PACLITAXEL CERIBATE

Official Name

English

PROTAXEL

Brand Name

English

BP-179

Code

English

7.BETA.-((2RS)-2,3-DIHYDROXYPROPOXYCARBONYLOXY)-1-HYDROXY-9-OXO-5.BETA.,20-EPOXYTAX-11-ENE-2.ALPHA.,4,10.BETA.,13.ALPHA.-TETRAYL 4,10-DIACETATE 2-BENZOATE 13-((2R,3S)-3-BENZAMIDO-2-HYDROXY-3-PHENYLPROPANOATE)

Common Name

English

paclitaxel ceribate [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C1490