ORTATAXEL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C44H57NO17
Molecular Weight	871.9199
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12[C@H](OC(=O)C3=CC=CC=C3)[C@]45OC(=O)O[C@H]4[C@H](OC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]1(C)[C@@H](O)C[C@H]6OC[C@@]26OC(C)=O)C5(C)C

InChI

InChIKey=BWKDAMBGCPRVPI-ZQRPHVBESA-N

InChI=1S/C44H57NO17/c1-20(2)17-25(45-38(53)61-40(6,7)8)29(49)37(52)57-30-21(3)28-31(56-22(4)46)33(50)42(11)26(48)18-27-43(19-55-27,60-23(5)47)32(42)35(58-36(51)24-15-13-12-14-16-24)44(41(28,9)10)34(30)59-39(54)62-44/h12-16,20,25-27,29-32,34-35,48-49H,17-19H2,1-11H3,(H,45,53)/t25-,26-,27+,29+,30+,31+,32-,34-,35-,42+,43-,44+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C44H57NO17
Molecular Weight	871.9199
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:30:53 UTC 2023` Edited by `admin` on `Fri Dec 15 15:30:53 UTC 2023`
Record UNII	8H61Y4E29N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ORTATAXEL

Official Name

English

IDN-5109

Code

English

SB-T 101131

Code

English

Ortataxel [WHO-DD]

Common Name

English

BAY-59-8862

Code

English

IDN5109

Code

English

SB-T-101131

Code

English

ortataxel [INN]

Common Name

English

BAY 59-8862

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C67437