Spirendolol

Spirendolol

Names
IUPAC name 4-[3-(tert-Butylamino)-2-hydroxypropoxy]spiro[3H-indene-2,1'-cyclohexane]-1-one
Identifiers
CAS Number	65429-87-0^Y
3D model (JSmol)	Interactive image
ChemSpider	62090
PubChem CID	68857
UNII	96789094BR^Y
CompTox Dashboard(EPA)	DTXSID40867154
InChI InChI=1S/C21H31NO3/c1-20(2,3)22-13-15(23)14-25-18-9-7-8-16-17(18)12-21(19(16)24)10-5-4-6-11-21/h7-9,15,22-23H,4-6,10-14H2,1-3H3 Key: YLBMSIZZTJEEIO-UHFFFAOYSA-N InChI=1/C21H31NO3/c1-20(2,3)22-13-15(23)14-25-18-9-7-8-16-17(18)12-21(19(16)24)10-5-4-6-11-21/h7-9,15,22-23H,4-6,10-14H2,1-3H3 Key: YLBMSIZZTJEEIO-UHFFFAOYAB
SMILES CC(C)(C)NCC(COC1=CC=CC2=C1CC3(C2=O)CCCCC3)O
Properties
Chemical formula	C₂₁H₃₁NO₃
Molar mass	345.483 g·mol⁻¹
Except where otherwise noted, data are given for materials in theirstandard state (at 25 °C [77 °F], 100 kPa). Infobox references

Spirendolol

Names

4-[3-(tert-Butylamino)-2-hydroxypropoxy]spiro[3H-indene-2,1'-cyclohexane]-1-one

Identifiers

3D model (JSmol)

InChI=1S/C21H31NO3/c1-20(2,3)22-13-15(23)14-25-18-9-7-8-16-17(18)12-21(19(16)24)10-5-4-6-11-21/h7-9,15,22-23H,4-6,10-14H2,1-3H3
Key: YLBMSIZZTJEEIO-UHFFFAOYSA-N
InChI=1/C21H31NO3/c1-20(2,3)22-13-15(23)14-25-18-9-7-8-16-17(18)12-21(19(16)24)10-5-4-6-11-21/h7-9,15,22-23H,4-6,10-14H2,1-3H3
Key: YLBMSIZZTJEEIO-UHFFFAOYAB

Properties

C₂₁H₃₁NO₃

345.483 g·mol⁻¹

Except where otherwise noted, data are given for materials in theirstandard state (at 25 °C [77 °F], 100 kPa).

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