atrasentan hydrochloride (CHEBI:751785)

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CHEBI:751785 - atrasentan hydrochloride

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ChEBI ID	CHEBI:751785
ChEBI Name	atrasentan hydrochloride
Stars
Last Modified	29 June 2026
Submitter	ChEMBL
Downloads	Molfile

Formula	HCl.C29H38N2O6
Net Charge	0
Average Mass	547.092
Monoisotopic Mass	546.24966
SMILES	CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)cc1.Cl
InChI	InChI=1S/C29H38N2O6.ClH/c1-4-6-14-30(15-7-5-2)26(32)18-31-17-23(21-10-13-24-25(16-21)37-19-36-24)27(29(33)34)28(31)20-8-11-22(35-3)12-9-20;/h8-13,16,23,27-28H,4-7,14-15,17-19H2,1-3H3,(H,33,34);1H/t23-,27-,28+;/m1./s1
InChIKey	IJFUJIFSUKPWCZ-SQMFDTLJSA-N

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	atrasentan hydrochloride (CHEBI:751785) has role antineoplastic agent (CHEBI:35610)
	atrasentan hydrochloride (CHEBI:751785) is a pyrrolidines (CHEBI:38260)

Synonyms	Source
A-127722	ChEMBL
A-147627.1	ChEMBL
ABBOT-147627	ChEMBL
Atrasentan hcl	ChEMBL
Atrasentan hydrochloride	ChEMBL