alvespimycin hydrochloride (CHEBI:751533)

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CHEBI:751533 - alvespimycin hydrochloride

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ChEBI ID	CHEBI:751533
ChEBI Name	alvespimycin hydrochloride
Stars
Last Modified	29 June 2026
Submitter	ChEMBL
Downloads	Molfile

Formula	HCl.C32H48N4O8
Net Charge	0
Average Mass	653.217
Monoisotopic Mass	652.32389
SMILES	CO[C@H]1/C=C\C=C(/C)C(=O)NC2=CC(=O)C(NCCN(C)C)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O.Cl
InChI	InChI=1S/C32H48N4O8.ClH/c1-18-14-22-27(34-12-13-36(5)6)24(37)17-23(29(22)39)35-31(40)19(2)10-9-11-25(42-7)30(44-32(33)41)21(4)16-20(3)28(38)26(15-18)43-8;/h9-11,16-18,20,25-26,28,30,34,38H,12-15H2,1-8H3,(H2,33,41)(H,35,40);1H/b11-9-,19-10+,21-16+;/t18-,20+,25+,26+,28-,30+;/m1./s1
InChIKey	DFSYBWLNYPEFJK-IHLRWNDRSA-N

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	alvespimycin hydrochloride (CHEBI:751533) has role antineoplastic agent (CHEBI:35610)
	alvespimycin hydrochloride (CHEBI:751533) is a carbamate ester (CHEBI:23003)

Synonyms	Source
17-dmag hcl	ChEMBL
Alvespimycin hcl	ChEMBL
Alvespimycin hydrochloride	ChEMBL
BMS-826476	ChEMBL
KOS-1022	ChEMBL

Citations