1H-Purine-2,6-dione, 3,7-dihydro-7-[2-[[(1S,2R)-2-hydroxy-1-methyl-2-phenylethyl]amino]ethyl]-1,3-dimethyl-, monohydrochloride

CAS Registry Number®

3039-97-2
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CAS Name

1H-Purine-2,6-dione, 3,7-dihydro-7-[2-[[(1S,2R)-2-hydroxy-1-methyl-2-phenylethyl]amino]ethyl]-1,3-dimethyl-, monohydrochloride

Molecular Formula

C18H23N5O3.ClH

Cite this Page

1H-Purine-2,6-dione, 3,7-dihydro-7-[2-[[(1S,2R)-2-hydroxy-1-methyl-2-phenylethyl]amino]ethyl]-1,3-dimethyl-, monohydrochloride.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3039-97-2 (retrieved 2024-05-15) (CAS RN: 3039-97-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H23N5O3.ClH/c1-12(15(24)13-7-5-4-6-8-13)19-9-10-23-11-20-16-14(23)17(25)22(3)18(26)21(16)2;/h4-8,11-12,15,19,24H,9-10H2,1-3H3;1H/t12-,15-;/m0./s1

InChIKey

InChIKey=UTTZHZDGHMJDPM-NXCSSKFKSA-N

SMILES

C(CN[C@H]([C@H](O)C1=CC=CC=C1)C)N2C3=C(N(C)C(=O)N(C)C3=O)N=C2.Cl

Canonical SMILES

Cl.O=C1C2=C(N=CN2CCNC(C)C(O)C=3C=CC=CC3)N(C(=O)N1C)C

Other Names for this Substance

  • 1H-Purine-2,6-dione, 3,7-dihydro-7-[2-[[(1S,2R)-2-hydroxy-1-methyl-2-phenylethyl]amino]ethyl]-1,3-dimethyl-, monohydrochloride
  • Theophylline, 7-[2-[(β-hydroxy-α-methylphenethyl)amino]ethyl]-, monohydrochloride
  • 1H-Purine-2,6-dione, 3,7-dihydro-7-[2-[(2-hydroxy-1-methyl-2-phenylethyl)amino]ethyl]-1,3-dimethyl-, monohydrochloride, [R-(R*,S*)]-
  • Norephedrine theophylline
  • [R-(R*,S*)]-3,7-Dihydro-7-[2-[(2-hydroxy-1-methyl-2-phenylethyl)amino]ethyl]-1,3-dimethyl-1H-purine-2,6-dione monohydrochloride

Deleted or Replaced CAS Registry Numbers

102367-58-8, 3886-30-4, 16232-86-3

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