Betaxolol-d5

CAT: 1299-RM-B050116-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-B050116-01Size:10 mg

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CAS Number

1189957-99-0

Synonyms

1- (4- (2- (cyclopropylmethoxy) ethyl) phenoxy) -3- (isopropylamino) propan-1,1,2,3,3-d5-2-ol

Molecular Formula

C18H24D5NO3

Molecular Weight

312.46

Target Alternative Name

Betaxolol

Product Name Synonym

1- (4- (2- (cyclopropylmethoxy) ethyl) phenoxy) -3- (isopropylamino) propan-1,1,2,3,3-d5-2-ol

Chemical Information

Betaxolol-d5

CAS Number	1189957-99-0
PubChem CID	45038330
IUPAC Name	1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-1,1,2,3,3-pentadeuterio-3-(propan-2-ylamino)propan-2-ol
Molecular Formula	C18H29NO3
Molecular Weight	312.5
XLogP	2.8
Topological Polar Surface Area	50.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	11
Heavy Atom Count	22
Formal Charge	0
Complexity	286

SMILES

[2H]C([2H])(C([2H])(C([2H])([2H])OC1=CC=C(C=C1)CCOCC2CC2)O)NC(C)C

InChI

InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3/i11D2,13D2,17D

InChIKey

NWIUTZDMDHAVTP-FFNOJTKMSA-N

Chemical Structure

2D Structure

CAS: 1189957-99-0

CID: 45038330

Formula: C18H29NO3

MW: 312.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	312.5
XLogP3	2.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	11
Exact Mass	312.24612752
Monoisotopic Mass	312.24612752
Topological Polar Surface Area	50.7 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	286
Isotope Atom Count	5
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

Catalog	Name
RM-B050107-01	Betaxolol Impurity 7 (R-Betaxolol)
RM-B050100-01	Betaxolol Hydrochloride
RM-B050119-01	Betaxolol Impurity 19
RM-B050114-01	Betaxolol Impurity 14
RM-B050112-01	Betaxolol Impurity 12
RM-B050120-01	Betaxolol Impurity 20
RM-B050117-01	Betaxolol Impurity 17
RM-B050110-01	N-Nitroso-Betaxolol
RM-B050108-01	Betaxolol Impurity 8
RM-B050115-01	Betaxolol Impurity 15

Catalog	Name
sc-217752	Betaxolol-d5
AR-B01539-01	Betaxolol-d5 HCl
sc-499870	Des[4- (2-cyclopropylmethoxy) ] Betaxolol-d5 Hydrochloride
B1352-10	Betaxolol