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Rifapentine

ChemSpider ID: 16744290
Molecular Formula: C₄₇H₆₄N₄O₁₂
Average mass: 877.030701 Da
Monoisotopic mass: 876.452087 Da
Systematic name

(7S,11S,12S,13S,14R,15S,16R,17R,18R,26E)-26-{[(4-Cyclopentyl-1-piperazinyl)amino]methylene}-2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27-trioxo-8,30-dioxa-24-azatetracyclo [23.3.1.1^4,7.0^5,28]triaconta-1(28),2,4,9,19,21,25(29)-heptaen-13-yl acetate
SMILES and InChIs

SMILES:

O=C3\C(=C\NN2CCN(C1CCCC1)CC2)\C6=C(\O)c5c3c4C(=O)[C@](Oc4c(c5O)C)(OC=C[C@H](OC)[C@@H]([C@@H](OC(=O)C)[C@@H]([C@@H](O)[C@H](C)[C@H](O)[C@@H](C=CC=C(C(=O)N6)C)C)C)C)C Copied

Std. InChI:

InChI=1S/C47H64N4O12/c1-24-13-12-14-25(2)46(59)49-37-32(23-48-51-20-18-50(19-21-51)31-15-10-11-16-31)41(56)34-35(42(37)57)40(55)29(6)44-36(34)45(58)47(8,63-44)61-22-17-33(60-9)26(3)43(62-30(7)52)28(5)39(54)27(4)38(24)53/h12-14,17,22-24,26-28,31,33,38-39,43,48,53-55,57H,10-11,15-16,18-21H2,1-9H3,(H,49,59)/b13-12?,22-17?,25-14?,32-23+/t24-,26+,27-,28-,33+,38-,39+,43-,47+/m1/s1 Copied

Std. InChIKey:

RISDZDVHYCURHD-JOXWUWGDSA-N Copied
Cite this record
CSID:16744290, http://www.chemspider.com/Chemical-Structure.16744290.html (accessed 08:02, Jun 20, 2013) Copied

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

Rifapentine [Wiki] [USAN]

61379-65-5 [RN]

Unable to generate chemical name

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

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