CABAZITAXEL MONOHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C45H57NO14.H2O
Molecular Weight	853.9477
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.[H][C@@]12C[C@H](OC)[C@@]3(C)C(=O)[C@H](OC)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)OC(C)(C)C)C6=CC=CC=C6

InChI

InChIKey=CHVARVMIVJJZTG-JVXKREHESA-N

InChI=1S/C45H57NO14.H2O/c1-24-28(57-39(51)33(48)32(26-17-13-11-14-18-26)46-40(52)60-41(3,4)5)22-45(53)37(58-38(50)27-19-15-12-16-20-27)35-43(8,36(49)34(55-10)31(24)42(45,6)7)29(54-9)21-30-44(35,23-56-30)59-25(2)47;/h11-20,28-30,32-35,37,48,53H,21-23H2,1-10H3,(H,46,52);1H2/t28-,29-,30+,32-,33+,34+,35-,37-,43+,44-,45+;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C45H57NO14
Molecular Weight	835.9324
Charge	0
Count

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

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:29:49 UTC 2023` Edited by `admin` on `Sat Dec 16 15:29:49 UTC 2023`
Record UNII	P8B6SWJ0O9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CABAZITAXEL MONOHYDRATE

Common Name

English

BENZENEPROPANOIC ACID, .BETA.-(((1,1-DIMETHYLETHOXY)CARBONYL)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-11-HYDROXY-4,6-DIMETHOXY-4A,8,13,13-TETRAMETHYL-5-OXO-

Common Name

English

Code System Code Type Description

SMS_ID

100000182795

Created by admin on Sat Dec 16 15:29:49 UTC 2023 , Edited by admin on Sat Dec 16 15:29:49 UTC 2023

PRIMARY

FDA UNII

P8B6SWJ0O9

Created by admin on Sat Dec 16 15:29:49 UTC 2023 , Edited by admin on Sat Dec 16 15:29:49 UTC 2023

PRIMARY

PUBCHEM

140674048

Created by admin on Sat Dec 16 15:29:49 UTC 2023 , Edited by admin on Sat Dec 16 15:29:49 UTC 2023

PRIMARY

CAS

1613316-39-4

Created by admin on Sat Dec 16 15:29:49 UTC 2023 , Edited by admin on Sat Dec 16 15:29:49 UTC 2023

PRIMARY

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ACTIVE MOIETY

Name	Property Type	Parameters
Tmax	PHARMACOKINETIC	intravenous infusion

Volume of Distribution	PHARMACOKINETIC

Biological Half-life	PHARMACOKINETIC

blood-to-plasma ratio	PHARMACOKINETIC