Ketcher 07302116322D 1   1.00000     0.00000     0

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M  END
> <ID>
CHEBI:32018

> <NAME>
piroheptine hydrochloride

> <DEFINITION>
The hydrochloride salt of piroheptine.

> <STAR>
3

> <SYNONYM>
piroheptine HCl; 3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-1-ethyl-2-methylpyrrolidinium chloride

> <IUPAC_NAME>
3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-1-ethyl-2-methylpyrrolidine hydrochloride

> <BRAND_NAME>
Trimol

> <FORMULA>
C22H25N.ClH; C22H25N.HCl

> <MASS>
339.910

> <MONOISOTOPIC_MASS>
339.17538

> <CHARGE>
0

> <SMILES>
Cl.CCN1CCC(C1C)=C1C2=CC=CC=C2CCC2=CC=CC=C12

> <INCHI>
InChI=1S/C22H25N.ClH/c1-3-23-15-14-19(16(23)2)22-20-10-6-4-8-17(20)12-13-18-9-5-7-11-21(18)22;/h4-11,16H,3,12-15H2,1-2H3;1H

> <INCHIKEY>
PLJNHZOEOXGWIR-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
16378-22-6

> <CHEMIDPLUS>
16378-22-6

> <KEGG_DRUG_ACCESSION>
D01231

> <PUBMED_CITATION>
3258627

$$$$