Bencyclane

Bencyclane is an antispasmodic, vasodilator, and platelet aggregation inhibitor.^[1]

Bencyclane

Names
IUPAC name 3-[(1-benzylcycloheptyl)oxy]-N,N-dimethylpropan-1-amine
Identifiers
CAS Number	2179-37-5 N
3D model (JSmol)	Interactive image
ChEMBL	ChEMBL2110767 N
ChemSpider	2222 Y
ECHA InfoCard	100.016.861
PubChem CID	2312
UNII	6I97Z6S135 Y
CompTox Dashboard (EPA)	DTXSID0022646
InChI InChI=1S/C19H31NO/c1-20(2)15-10-16-21-19(13-8-3-4-9-14-19)17-18-11-6-5-7-12-18/h5-7,11-12H,3-4,8-10,13-17H2,1-2H3 Y Key: FYJJXENSONZJRG-UHFFFAOYSA-N Y InChI=1/C19H31NO/c1-20(2)15-10-16-21-19(13-8-3-4-9-14-19)17-18-11-6-5-7-12-18/h5-7,11-12H,3-4,8-10,13-17H2,1-2H3 Key: FYJJXENSONZJRG-UHFFFAOYAM
SMILES O(CCCN(C)C)C1(CCCCCC1)Cc2ccccc2
Properties
Chemical formula	C19H31NO
Molar mass	289.45554
Pharmacology
ATC code	C04AX11 (WHO)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). N verify (what is YN ?) Infobox references

Synthesis

Synthesis:^[2][3] Patents:^[4][5]

Grignard addition of benzylmagnesiumbromide to suberone would give 1-benzylcycloheptanol [4006-73-9] (1'). Williamson ether synthesis with 3-dimethylaminopropylchloride [109-54-6] (2) completed the synthesis of bencyclane (3).

See also

• Clofenciclan