4-Hydroxy Propranolol-D7

CAT: 1299-RM-P181529-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P181529-02Size:25 mg

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CAS Number

1219804-03-1

Synonyms

4- (2-hydroxy-3- ((propan-2-yl-d7) amino) propoxy) naphthalen-1-ol

Molecular Formula

C16H14D7NO3

Molecular Weight

282.39

Target Alternative Name

Propranolol

Product Name Synonym

4- (2-hydroxy-3- ((propan-2-yl-d7) amino) propoxy) naphthalen-1-ol

Chemical Information

Hydroxypropranolol-d7 hydrochloride

CAS Number	1219804-03-1
PubChem CID	49849707
IUPAC Name	4-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-2-hydroxypropoxy]naphthalen-1-ol;hydrochloride
Molecular Formula	C16H22ClNO3
Molecular Weight	318.84
Topological Polar Surface Area	61.7
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	21
Formal Charge	0
Complexity	285

SMILES

[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCC(COC1=CC=C(C2=CC=CC=C21)O)O.Cl

InChI

InChI=1S/C16H21NO3.ClH/c1-11(2)17-9-12(18)10-20-16-8-7-15(19)13-5-3-4-6-14(13)16;/h3-8,11-12,17-19H,9-10H2,1-2H3;1H/i1D3,2D3,11D;

InChIKey

ROUJENUXWIFONU-BGKGEVRXSA-N

Chemical Structure

2D Structure

CAS: 1219804-03-1

CID: 49849707

Formula: C16H22ClNO3

MW: 318.84

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	318.84
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	318.1727585
Monoisotopic Mass	318.1727585
Topological Polar Surface Area	61.7 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	285
Isotope Atom Count	7
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
RM-P181528-01	Propranolol-D7 (Naphthalenyl-D7)
RM-P181527-01	Propranolol-D7 (N-Isopropyl-D7)
RM-H041814-01	4-Beta-Hydroxy Cholesterol-D7
RG-A260217-01	7A-Hydroxy-4-Cholesten-3-One-D7
RM-B041414-01	6-Beta-Hydroxy-Budesonide-D7
RM-P181500-01	Propranolol Hydrochloride
RM-P181524-01	Propranolol Impurity 24
RM-P181536-01	Propranolol Impurity 36
RM-P181518-01	Propranolol Impurity 18
RM-P181517-01	Propranolol Impurity 17

Catalog	Name
CS-O-16679	4-Hydroxy Propranolol-d7
sc-216864	(+/-) -4-Hydroxy Propranolol-d7 Hydrochloride
sc-217057	(+/-) -4'-Hydroxy Propranolol-d7 Sulfate
CS-O-02659	4-Hydroxy Propranolol Hydrochloride-d7
TMIR-0006-01	4-Hydroxy propranolol-d7 HCl
TRC-H952547-10MG	rac-4-Hydroxy Propranolol-d7 Hydrochloride
014407	Rac 4’-Hydroxy Propranolol-d7 Sulfate
MBS6042462-01	rac 4'-Hydroxy Propranolol-d7 Sulfate
sc-219784	Rac 4-Hydroxy Propranolol-d7 β-D-Glucuronide
CS-T-80185	4-Methoxy Propranolol-d7