CABAZITAXEL ACETONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C45H57NO14.C3H6O
Molecular Weight	894.0115
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=JXGFNOAMBPABCK-JVXKREHESA-N

InChI=1S/C45H57NO14.C3H6O/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;1-3(2)4/h11-20,28-30,32-35,37,48,53H,21-23H2,1-10H3,(H,46,52);1-2H3/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	10 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C3H6O
Molecular Weight	58.0791
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 `Fri Dec 15 16:36:24 UTC 2023` Edited by `admin` on `Fri Dec 15 16:36:24 UTC 2023`
Record UNII	9JX5MZ1I64
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CABAZITAXEL ACETONE

Common Name

English

Cabazitaxel acetone [WHO-DD]

Common Name

English

Code System Code Type Description

SMS_ID

100000166115