Desacetyl Rifapentine D8

Product Name Desacetyl Rifapentine D8
Alternate Names Rifapentine Stable Isotopes, Stable Isotopes of Rifapentine
CAT No. CS-CX-00589
CAS No. 79039-56-8 (Unlabeled)
Category Stable Isotopes
Stock IN-Stock
Mol. Wt. 843.04 g/mol
Mol. For. C₄₅H₅₄D₈N₄O₁₁
Hazardous This is not a Hazardous Compound
COA View Sample COA
MSDS View Sample MSDS
Parent API Rifapentine
Smileys OC(C(C=NN1C([2H])([2H])C([2H])([2H])N(C2CCCC2)C([2H])([2H])C1([2H])[2H])=C(NC(/C(C)=C\C=C\[C@@H]([C@@H]([C@@H](C)[C@H]3O)O)C)=O)C(O)=C4C(O)=C5C)=C4C6=C5O[C@](C)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]3C)O)C)OC)C6=O
Canonical Smiles CC1C=CC=C(C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)O)C)OC)C)C)O)O)C=NN5CCN(CC5)C6CCCC6)C
InchIKey LPUNEQQTZOWCNO-AMEVKTJQSA-N
Inchl InChI=1S/C45H62N4O11/c1-23-12-11-13-24(2)44(57)47-35-30(22-46-49-19-17-48(18-20-49)29-14-9-10-15-29)40(54)32-33(41(35)55)39(53)28(6)42-34(32)43(56)45(7,60-42)59-21-16-31(58-8)25(3)37(51)27(5)38(52)26(4)36(23)50/h11-13,16,21-23,25-27,29,31,36-38,50-55H,9-10,14-15,17-20H2,1-8H3,(H,47,57)/b12-11+,21-16+,24-13-,46-22?/t23-,25+,26+,27-,31-,36-,37+,38+,45-/m0/s1
IUPAC (7S,9E,11S,12S,13S,14R,15R,16R,17S,18S,19E,21Z)-26-[(4-cyclopentylpiperazin-1-yl)iminomethyl]-2,13,15,17,27,29-hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaene-6,23-dione
Controlled No
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Related Compounds

Rifapentine D9 | Rifapentine-D8 |

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