Chemistry:Cafedrine

Cafedrine
Clinical data
ATC code	C01CA21 (WHO) ;
Identifiers
	IUPAC name (RS)-7-[2-[(1-hydroxy-1-phenylpropan-2-yl)amino]ethyl]-1,3-dimethylpurine-2,6-dione;
CAS Number	58166-83-9 ;
PubChem CID	5489638;
ChemSpider	4590188 ;
UNII	0UYY5V4U2Q;
ChEMBL	ChEMBL2104207 ;
Chemical and physical data
Formula	C18H23N5O3
Molar mass	357.414 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES O=C2N(c1ncn(c1C(=O)N2C)CCNC(C)C(O)c3ccccc3)C;
	InChI InChI=1S/C18H23N5O3/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/t12-,15-/m0/s1 ; Key:UJSKUDDDPKGBJY-WFASDCNBSA-N ;
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Short description: Chemical linkage of norephedrine and theophylline

Cafedrine (INN), also known as norephedrinoethyltheophylline, is a chemical linkage of norephedrine and theophylline and is a cardiac stimulant used to increase blood pressure in people with hypotension.^[1]

References

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Original source: https://en.wikipedia.org/wiki/Cafedrine. Read more

Clinical data

ATC code	C01CA21 (WHO)
Identifiers
IUPAC name (RS)-7-[2-[(1-hydroxy-1-phenylpropan-2-yl)amino]ethyl]-1,3-dimethylpurine-2,6-dione
CAS Number	58166-83-9^Y
PubChem CID	5489638
ChemSpider	4590188^Y
UNII	0UYY5V4U2Q
ChEMBL	ChEMBL2104207^N
Chemical and physical data
Formula	C₁₈H₂₃N₅O₃
Molar mass	357.414 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES O=C2N(c1ncn(c1C(=O)N2C)CCNC(C)C(O)c3ccccc3)C
InChI InChI=1S/C18H23N5O3/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/t12-,15-/m0/s1^Y Key:UJSKUDDDPKGBJY-WFASDCNBSA-N^Y
^NY (what is this?) (verify)