Basic information
- CAS
29701-08-4- Standard SMILES
CN[C@@H](C)[C@H](O)c1ccccc1.Cn1c(=O)c2c(ncn2CC(=O)O)n(C)c1=O- InChIKey
YSIIKGUQUONBTG-GNAZCLTHSA-N- Molecular formula
- C19H25N5O5
- Average molar mass
- 403.4 g/mol
- Monoisotopic mass
- 403.18556891
Names & identifiers
- Preferred name
- 7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-, compd. with (R-(R*,S*))-alpha-(1-(methylamino)ethyl)benzenemethanol (1:1)
- IUPAC
- 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid;(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol
- English name
- 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetic acid, compound with [R-(R,S)]-alpha-[1-(methylamino)ethyl]benzyl alcohol (1:1)
- Molecular formula
- C10H15NO.C9H10N4O4
- Molecular weight
- 403.436
Names & synonyms
Ephedrine acefyllinate69LH6U1N2729701-08-4RefChem:10745747H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-, compd. with (R-(R*,S*))-alpha-(1-(methylamino)ethyl)benzenemethanol (1:1)Ephedrine theophylline 7-acetateTeofilino-7-octanefedryny [Polish]Teofilino-7-octanefedrynyEINECS 249-783-2UNII-69LH6U1N27DTXSID00952151EPHEDRINE ACEFYLLINATE [WHO-DD]
Show more names
YSIIKGUQUONBTG-GNAZCLTHSA-N1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetic acid, compound with [R-(R,S)]-alpha-[1-(methylamino)ethyl]benzyl alcohol (1:1)
EPHEDRINE THEOPHYLLINE-7-ACETATE1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetic acid,compound with (R-(R,S))-alpha-(1-(methylamino)ethyl)benzyl alcoho l (1:1)Q27264355(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetic acid--(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol (1/1)(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetic acid--2-(methylamino)-1-phenylpropan-1-ol (1/1)BENZENEMETHANOL, .ALPHA.-(1-(METHYLAMINO)ETHYL)-, (R-(R*,S*))-, 1,2,3,6-TETRAHYDRO-1,3-DIMETHYL-2,6-DIOXO-7H-PURINE-7-ACETATE (SALT)EPHEDRINE, 1,2,3,6-TETRAHYDRO-1,3-DIMETHYL-2,6-DIOXOPURINE-7-ACETATE (SALT), (-)-
Database identifiers
- CAS
29701-08-4- PubChem CID
- 71289
- DTXSID
DTXSID00952151- UNII
- 69LH6U1N27
- EC Number
- 249-783-2
Properties
Computed structural properties
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 506
Physicochemical properties
- FDA UNII
- 69 LH6U1N27 · 69LH6U1N27
Chemistry & industry
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
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Compound notes
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