NCS
China New Chemical Substance Search
Quetiapine D4 hemifumarate
喹硫平D4半富马酸盐, [2H4]-Quetiapine hemifumarate
CAS Number: 1217310-65-0
IUPAC name: bis(2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]-1,1,2,2-tetradeuterioethanol);bis((E)-but-2-enedioic acid)
Molecular formula: C23H23D4N3O4S
Molecular weight: 503.60400
InChI: InChI=1S/2C21H25N3O2S.2C4H4O4/c2*25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21;2*5-3(6)1-2-4(7)8/h2*1-8,25H,9-16H2;2*1-2H,(H,5,6)(H,7,8)/b;;2*2-1+/i2*14D2,16D2;;
InChIKey: SGKKPPGSCBIFAM-PSAPTRNMSA-N
SMILES: -
EINECS: [2H]C(O)(C(OCCN1CCN(CC1)C2=NC3=CC=CC=C3SC4=CC=CC=C24)([2H])[2H])[2H].[2H]C(O)(C(OCCN1CCN(CC1)C2=NC3=CC=CC=C3SC4=CC=CC=C24)([2H])[2H])[2H].C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
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