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11-Desmethyl Rifaximin-[d4]

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General Information
Catalog: BLP-001780
CAS: 1316302-12-1
Molecular Formula: C42H45D4N3O11
Molecular Weight: 775.88

Chemical Structure

Synonyms	11-Desmethyl Rifaximin-d4; 4-Deoxy-pyridol[1',2'-1,2]imidazo[5,4-c]rifamycin SV-d4; 11-Desmethyl Rifamycin L 105-d4; 11-Desmethyl Rifaxidin-d4; 11-Desmethyl Fatroximin-d4; 11-Desmethyl Normix-d4; 11-Desmethyl Rifacol-d4; 11-Desmethyl Xifaxan-d4
IUPAC Name	[(7S,9E,11S,12R,13R,14R,15R,16R,17S,18S,19E,21Z)-28,29,30,31-tetradeuterio-2,15,17,36-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,37-dioxa-24,27,33-triazahexacyclo[23.10.1.14,7.05,35.026,34.027,32]heptatriaconta-1(35),2,4,9,19,21,25(36),26(34),28,30,32-undecaen-13-yl] acetate
Related CAS	80621-86-9 (unlabelled with no stereochemistry)
Isomeric SMILES	[2H]C1=C(C2=NC3=C(N2C(=C1[2H])[2H])C4=C(C5=C3C6=C(C(=C5O)C)O[C@@](C6=O)(O/C=C/[C@@H]([C@H]([C@@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(\C(=O)N4)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O)[2H]
Canonical SMILES	CC1C=CC=C(C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)OC(C4=O)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C5=C2N6C=CC=CC6=N5)O)C
InChI	InChI=1S/C42H49N3O11/c1-19-13-12-14-20(2)41(52)44-32-33-31(43-27-15-10-11-17-45(27)33)28-29(37(32)50)36(49)24(6)39-30(28)40(51)42(8,56-39)54-18-16-26(53-9)21(3)38(55-25(7)46)23(5)35(48)22(4)34(19)47/h10-19,21-23,26,34-35,38,47-50H,1-9H3,(H,44,52)/b13-12+,18-16+,20-14-/t19-,21+,22+,23+,26-,34-,35+,38-,42-/m0/s1/i10D,11D,15D,17D
InChI Key	AANGSOOSBGADDI-FZFXTIDLSA-N
Purity	≥98%
Storage	Store at 2-8°C