Chemistry:A-41988

A-41988
Identifiers
	IUPAC name 8-[5-(4-Fluorophenyl)pentan-2-yl]-5,5-dimethyl-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-ol;
CAS Number	52763-30-1 ;
PubChem CID	3085018;
ChemSpider	2341998 ;
UNII	68GDT58M65;
ChEMBL	ChEMBL303312 ;
Chemical and physical data
Formula	C28H32FNO2
Molar mass	433.567 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES c4cc(F)ccc4CCCC(C)c3cc(O)c1C=2CN(CC#C)CCC=2C(C)(C)Oc1c3;
	InChI InChI=1S/C28H32FNO2/c1-5-14-30-15-13-24-23(18-30)27-25(31)16-21(17-26(27)32-28(24,3)4)19(2)7-6-8-20-9-11-22(29)12-10-20/h1,9-12,16-17,19,31H,6-8,13-15,18H2,2-4H3 ; Key:UIDOJGIFVOOMLY-UHFFFAOYSA-N ;
	(verify)

Short description: Chemical compound

A-41988 (BW29Y) is an analgesic drug which acts as a cannabinoid agonist. It was developed by Abbott Laboratories in the 1970s,^[1]^[2] and researched for potential use in the treatment of glaucoma,^[3] but never commercialised.

References

↑ "Drugs derived from cannabinoids. 5. delta6a,10a-Tetrahydrocannabinol and heterocyclic analogs containing aromatic side chains". Journal of Medicinal Chemistry 19 (4): 461–71. April 1976. doi:10.1021/jm00226a003. PMID 817021.
↑ "Phase-I evaluation of 5-5-dimethyl-10-hydroxy-8-[5-(4-fluorophenyl)-2-pentyl]-2-(2-propynyl-1, 2, 3, 4-tetrahydro-5h-[1] benzopyrano [3, 4-d] pyridine (a-41988)-novel benzopyran derivative". Clinical Pharmacology and Therapeutics 25: 227. 1979.
↑ "Effect of synthetic cannabinoids on elevated intraocular pressure". Ophthalmology 88 (3): 270–7. March 1981. doi:10.1016/s0161-6420(81)35052-0. PMID 7015221.

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Identifiers

IUPAC name 8-[5-(4-Fluorophenyl)pentan-2-yl]-5,5-dimethyl-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-ol
CAS Number	52763-30-1^Y
PubChem CID	3085018
ChemSpider	2341998^Y
UNII	68GDT58M65
ChEMBL	ChEMBL303312^Y
Chemical and physical data
Formula	C₂₈H₃₂FNO₂
Molar mass	433.567 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES c4cc(F)ccc4CCCC(C)c3cc(O)c1C=2CN(CC#C)CCC=2C(C)(C)Oc1c3
InChI InChI=1S/C28H32FNO2/c1-5-14-30-15-13-24-23(18-30)27-25(31)16-21(17-26(27)32-28(24,3)4)19(2)7-6-8-20-9-11-22(29)12-10-20/h1,9-12,16-17,19,31H,6-8,13-15,18H2,2-4H3^Y Key:UIDOJGIFVOOMLY-UHFFFAOYSA-N^Y
(verify)