Ticagrelor Metabolite-M5 D7

ISO 17034:
Catalog Number : CS-O-10086
CAS Number : 1251765-07-7 (Unlabeled)
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Product Information

Product Name : Ticagrelor Metabolite-M5 D7
Category : Stable Isotopes
Therapeutic : Anti-Thrombotics

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Canonical SMILES : CCCSC1=NC(=C2C(=N1)N(N=N2)C3CC(C(C3O)O)OCCO)N
Isomeric SMILES : CCCSC1=NC(=C2C(=N1)N(N=N2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)N
InChI : InChI=1S/C14H22N6O4S/c1-2-5-25-14-16-12(15)9-13(17-14)20(19-18-9)7-6-8(24-4-3-21)11(23)10(7)22/h7-8,10-11,21-23H,2-6H2,1H3,(H2,15,16,17)/t7-,8+,10+,11-/m1/s1
InchIKey : YTYBSYIHUFBLKV-YKDSUIRESA-N
IUPAC Name : (1S,2S,3R,5S)-3-(7-amino-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl)-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
Exact Mass : 370.14232438