dersimelagon phosphate (CHEBI:758551)

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CHEBI:758551 - dersimelagon phosphate

Default Structure

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ChEBI ID	CHEBI:758551
ChEBI Name	dersimelagon phosphate
Stars
Last Modified	30 June 2026
Submitter	ChEMBL
Downloads	Molfile

Formula	H3O4P.C36H45F4N3O5
Net Charge	0
Average Mass	773.758
Monoisotopic Mass	773.30643
SMILES	COC[C@H]1CN(C(=O)[C@]2(F)CN(C3CCCC3)C[C@H]2c2ccc(OC)cc2)C[C@@H]1c1ccc(C(F)(F)F)cc1N1CCC(C(=O)O)CC1.O=P(O)(O)O
InChI	InChI=1S/C36H45F4N3O5.H3O4P/c1-47-21-25-18-42(19-30(25)29-12-9-26(36(38,39)40)17-32(29)41-15-13-24(14-16-41)33(44)45)34(46)35(37)22-43(27-5-3-4-6-27)20-31(35)23-7-10-28(48-2)11-8-23;1-5(2,3)4/h7-12,17,24-25,27,30-31H,3-6,13-16,18-22H2,1-2H3,(H,44,45);(H3,1,2,3,4)/t25-,30+,31+,35+;/m1./s1
InChIKey	PICGAOGKGDTMCU-ZPNFXMDPSA-N

Roles Classification

dermatologic drug A drug used to treat or prevent skin disorders or for the routine care of skin.

ChEBI Ontology

Outgoing Relation(s)
	dersimelagon phosphate (CHEBI:758551) has role dermatologic drug (CHEBI:50177)
	dersimelagon phosphate (CHEBI:758551) is a piperidines (CHEBI:26151)

Synonyms	Source
Dersimelagon phosphate	ChEMBL
Dersimelagon phosphoric acid	ChEMBL
MT-7117 phosphate	ChEMBL