Theocolin
Molecular Formula:
C
12
H
21
N
5
O
3
InChI:
InChI=1/C7H8N4O2.C5H14NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-6(2,3)4-5-7/h3,12H,1-2H3;7H,4-5H2,1-3H3/q;+1/p-1/fC7H7N4O2.C5H14NO/h12h;/q-1;m
InChIKey:
InChIKey=SOELXOBIIIBLRJ-PGYFHCKPCE
SMILES:
CN1C(=C2C(=NC=N2)N(C1=O)C)[O-].C[N+](C)(C)CCO
Names:
Choline theophylline (JAN)
Choline theophylline
D02017
Oxtriphylline (USP)
OXTRIPHYLLINE
Theocolin (TN)
Theocolin
1,3-dimethyl-2-oxo-purin-6-olate; 2-hydroxyethyl-trimethyl-azanium
4499-40-5
Registries:
PubChem CID 656652
PubChem ID 7849079