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Theophylline ephedrine

CAT: 0931-T202563-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T202563-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
15766-94-6
Bioactivity
Theophylline ephedrine is a pharmacologically active salt used for the treatment of obstructive ventilatory disorders.
Smiles
O=C1C2=C(N(C)C(=O)N1C)N=CN2.[C@@H]([C@@H](NC)C)(O)C1=CC=CC=C1
Molecular Formula
C17H23N5O3
Molecular Weight
345.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Theophylline Ephedrine
CAS Number15766-94-6
PubChem CID86278139
IUPAC Name1,3-dimethyl-7H-purine-2,6-dione;(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol
Molecular FormulaC17H23N5O3
Molecular Weight345.4
Topological Polar Surface Area102
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity388
SMILES
C[C@@H]([C@@H](C1=CC=CC=C1)O)NC.CN1C2=C(C(=O)N(C1=O)C)NC=N2
InChI
InChI=1S/C10H15NO.C7H8N4O2/c1-8(11-2)10(12)9-6-4-3-5-7-9;1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3-8,10-12H,1-2H3;3H,1-2H3,(H,8,9)/t8-,10-;/m0./s1
InChIKey
QCGRAEADKWZHRR-GNAZCLTHSA-N
Chemical Structure
2D Structure
2D structure of Theophylline Ephedrine
CAS: 15766-94-6
CID: 86278139
Formula: C17H23N5O3
MW: 345.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight345.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass345.18008961
Monoisotopic Mass345.18008961
Topological Polar Surface Area102 Ų
Heavy Atom Count25
Formal Charge0
Complexity388
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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FE45955-01(-) -Ephedrine
CS-O-01806L-Ephedrine
AR-E08958-01Ephedrine Sulfate
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