ortataxel (CHEBI:748727)

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CHEBI:748727 - ortataxel

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ChEBI ID	CHEBI:748727
ChEBI Name	ortataxel
Stars
Last Modified	29 June 2026
Submitter	chembl-etl
Downloads	Molfile

Formula	C44H57NO17
Net Charge	0
Average Mass	871.930
Monoisotopic Mass	871.36265
SMILES	[H][C@]12[C@H](OC(=O)c3ccccc3)[C@]34OC(=O)O[C@@]3([H])[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@@]1([H])OC[C@@]21OC(C)=O)C4(C)C
InChI	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
InChIKey	BWKDAMBGCPRVPI-ZQRPHVBESA-N

Roles Classification

antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology

Outgoing Relation(s)
	ortataxel (CHEBI:748727) has functional parent tetracarboxylic acid (CHEBI:35742)
	ortataxel (CHEBI:748727) has role antineoplastic agent (CHEBI:35610)
	ortataxel (CHEBI:748727) is a organooxygen compound (CHEBI:36963)

INN	Source
ortataxel	WHO MedNet

Synonyms	Source
BAY 59-8862	ChEMBL
BAY-59-8862	ChEMBL
IDN 5109	ChEMBL
IDN-5109	ChEMBL
IDN5109	ChEMBL
SB-T 101131	ChEMBL

Citations