Verapamil-D7 Hydrochloride

CAT: 1134-ESS0359-01Size: 10 mgDry Ice: NoHazardous: Yes

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CAT#:1134-ESS0359-01Size:10 mg

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CAS Number

1188265-55-5

GHS Codes

GHS06, GHS09

P Phrases

P201, P202, P264, P273, P280

Structure Composition

C 65.11% H 6.48% Cl 7.12% N 5.62% O 12.85% D 2.83%

UN Code

2811

H Phrases

H301, H401, H411

UDF Signal Word

Danger

Hazard Statement

6.1

Applications

Labelled analog of Verapamil Hydrochloride

Molecular Formula

C27H32ClN2O4D7

Molecular Weight

498.11809

Packaging Group

Shipping Conditions

Room temerature

Storage Conditions

Freezer @ -20ºC

Hazardous Class

6.1

Chemical Information

Verapamil-D7 Hydrochloride

CAS Number	1188265-55-5
PubChem CID	45359132
IUPAC Name	2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pentanenitrile;hydrochloride
Molecular Formula	C27H39ClN2O4
Molecular Weight	498.1
Topological Polar Surface Area	64
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	13
Heavy Atom Count	34
Formal Charge	0
Complexity	606

SMILES

[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl

InChI

InChI=1S/C27H38N2O4.ClH/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6;/h9-12,17-18,20H,8,13-16H2,1-7H3;1H/i1D3,2D3,20D;

InChIKey

DOQPXTMNIUCOSY-OMVHPOPLSA-N

Chemical Structure

2D Structure

CAS: 1188265-55-5

CID: 45359132

Formula: C27H39ClN2O4

MW: 498.1

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	498.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	13
Exact Mass	497.3037726
Monoisotopic Mass	497.3037726
Topological Polar Surface Area	64 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	606
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

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Alternative Products

Catalog	Name
TMIJ-0285-01	Verapamil-d7 Hydrochloride
TMIH-0002-01	(+/-) -Verapamil hydrochloride-d7
460868	Nor Verapamil-d7, Hydrochloride
HY-135336BS-01	(Rac) -Verapamil-d7 (hydrochloride)
HY-135336S	(R) -Verapamil-d7 (hydrochloride)
HY-135336AS	(S) -Verapamil-d7 (hydrochloride)
468628-01	Verapamil-d7 Hydrochloride discontinued
CS-O-07057	N-Desmethyl Verapamil-d7 Hydrochloride
TRC-D100047-25MG	D 517-d7 Hydrochloride (Verapamil Impurity)
T1010-01	Verapamil hydrochloride

Verapamil-D7 Hydrochloride

Chemical Information

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