diacetylmorphine hydrochloride (CHEBI:752121)

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

We are looking for a new Chemistry curator to join the ChEBI team. Find out more about it here.

CHEBI:752121 - diacetylmorphine hydrochloride

ChEBI ID	CHEBI:752121
ChEBI Name	diacetylmorphine hydrochloride
Stars
Last Modified	29 June 2026
Submitter	ChEMBL
Downloads	Molfile

Formula	HCl.C21H23NO5
Net Charge	0
Average Mass	405.878
Monoisotopic Mass	405.13430
SMILES	Cl.[H][C@@]12C=C[C@H](OC(C)=O)[C@]3([H])Oc4c(OC(C)=O)ccc5c4[C@]13CCN(C)[C@@H]2C5
InChI	InChI=1S/C21H23NO5.ClH/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20;/h4-7,14-15,17,20H,8-10H2,1-3H3;1H/t14-,15+,17-,20-,21-;/m0./s1
InChIKey	FZJYQGFGNHGSFX-PVQKIFDLSA-N

Roles Classification

Biological Role:

metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology

Outgoing Relation(s)
	diacetylmorphine hydrochloride (CHEBI:752121) is a morphinane alkaloid (CHEBI:25418)

Synonyms	Source
Diacetylmorphine hydrochloride ci	ChEMBL
NSC-302357	ChEMBL