Pafenolol

Pafenolol

Names
IUPAC name 1-[2-[4-[2-Hydroxy-3-(propan-2-ylamino)propoxy]phenyl]ethyl]-3-propan-2-ylurea
Identifiers
CAS Number	80015-07-2
3D model (JSmol)	Interactive image
ChemSpider	64289
PubChem CID	71144
CompTox Dashboard(EPA)	DTXSID20868386
InChI InChI=1S/C18H31N3O3/c1-13(2)20-11-16(22)12-24-17-7-5-15(6-8-17)9-10-19-18(23)21-14(3)4/h5-8,13-14,16,20,22H,9-12H2,1-4H3,(H2,19,21,23) InChI=1/C18H31N3O3/c1-13(2)20-11-16(22)12-24-17-7-5-15(6-8-17)9-10-19-18(23)21-14(3)4/h5-8,13-14,16,20,22H,9-12H2,1-4H3,(H2,19,21,23) Key: PKWZWSXSCKVUJB-UHFFFAOYAJ
SMILES CC(C)NCC(COC1=CC=C(C=C1)CCNC(=O)NC(C)C)O
Properties
Chemical formula	C₁₈H₃₁N₃O₃
Molar mass	337.464 g·mol⁻¹
Except where otherwise noted, data are given for materials in theirstandard state (at 25 °C [77 °F], 100 kPa). Infobox references

Pafenolol

Names

1-[2-[4-[2-Hydroxy-3-(propan-2-ylamino)propoxy]phenyl]ethyl]-3-propan-2-ylurea

Identifiers

3D model (JSmol)

InChI=1S/C18H31N3O3/c1-13(2)20-11-16(22)12-24-17-7-5-15(6-8-17)9-10-19-18(23)21-14(3)4/h5-8,13-14,16,20,22H,9-12H2,1-4H3,(H2,19,21,23)
InChI=1/C18H31N3O3/c1-13(2)20-11-16(22)12-24-17-7-5-15(6-8-17)9-10-19-18(23)21-14(3)4/h5-8,13-14,16,20,22H,9-12H2,1-4H3,(H2,19,21,23)
Key: PKWZWSXSCKVUJB-UHFFFAOYAJ

Properties

C₁₈H₃₁N₃O₃

337.464 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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