Cicloprolol (free base)

CAT: 0013-GTR19210982-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19210982-01Size:25 mg

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Description

Cicloprolol (free base)

CAS Number

63659-12-1

Field of Research

Pharmacology & Drug Discovery

Smiles

CC (C) NCC (O) COc1ccc (OCCOCC2CC2) cc1

Molecular Formula

C18H29NO4

Molecular Weight

323.43

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Cicloprolol

Cicloprolol is an aromatic ether.

CAS Number	63659-12-1
PubChem CID	146294
IUPAC Name	1-[4-[2-(cyclopropylmethoxy)ethoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol
Molecular Formula	C18H29NO4
Molecular Weight	323.4
XLogP	2.4
Topological Polar Surface Area	60
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	12
Heavy Atom Count	23
Formal Charge	0
Complexity	301

SMILES

CC(C)NCC(COC1=CC=C(C=C1)OCCOCC2CC2)O

InChI

InChI=1S/C18H29NO4/c1-14(2)19-11-16(20)13-23-18-7-5-17(6-8-18)22-10-9-21-12-15-3-4-15/h5-8,14-16,19-20H,3-4,9-13H2,1-2H3

InChIKey

JNDJPKHYZWRRIS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 63659-12-1

CID: 146294

Formula: C18H29NO4

MW: 323.4

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	323.4
XLogP3	2.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	12
Exact Mass	323.20965841
Monoisotopic Mass	323.20965841
Topological Polar Surface Area	60 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	301
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Cicloprolol (free base)

Chemical Information

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