Aminophylline dihydrate

CAT: 0286-A27710-01Size: 100 gDry Ice: NoHazardous: Yes

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CAT#:0286-A27710-01Size:100 g

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CAS Number

317-34-0

UN Code

UN2811

Pictogram

06 - Acute Toxicity

UDF Signal Word

Danger

MDL Number

MFCD00149667

Hazard Statement

H301 Toxic if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled.

DOT Name

Toxic Solids, Organic, N.O.S.

DOT Classification

Class 6.1

Packaging Group

PGIII

Precautions

P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P310 IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Aminophylline

Aminophylline is a mixture comprising of theophylline and ethylenediamine in a 2:1 ratio. It has a role as a bronchodilator agent and a cardiotonic drug. It contains a theophylline and an ethylenediamine.

CAS Number	317-34-0
PubChem CID	9433
IUPAC Name	bis(1,3-dimethyl-7H-purine-2,6-dione);ethane-1,2-diamine
Molecular Formula	C16H24N10O4
Molecular Weight	420.43
Topological Polar Surface Area	191
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	1
Heavy Atom Count	30
Formal Charge	0
Complexity	273

SMILES

CN1C2=C(C(=O)N(C1=O)C)NC=N2.CN1C2=C(C(=O)N(C1=O)C)NC=N2.C(CN)N

InChI

InChI=1S/2C7H8N4O2.C2H8N2/c2*1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;3-1-2-4/h2*3H,1-2H3,(H,8,9);1-4H2

InChIKey

FQPFAHBPWDRTLU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 317-34-0

CID: 9433

Formula: C16H24N10O4

MW: 420.43

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	420.43
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	1
Exact Mass	420.19819929
Monoisotopic Mass	420.19819929
Topological Polar Surface Area	191 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	273
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
GTR19153242-01	Aminophylline Dihydrate
A4346-5.1	Aminophylline

Aminophylline dihydrate

Chemical Information

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