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Basic Information
CAS No.: 127923-87-9
Name: Rifapentine hydrochloride
Molecular Structure:
Molecular Structure of 127923-87-9 (Rifapentine hydrochloride)
Formula: C47H64N4O12.HCl
Molecular Weight: 913.506
Synonyms: RIFAMYCIN, 3-[[(4-CYCLOPENTYL-1-PIPERAZINYL)IMINO]METHYL]-, MONOHYDROCHLORIDE;RIFAPENTINE HYDROCHLORIDE;3-[[(4-CYCLOPENTYL-1-PIPERAZINYL)-IMINO]METHYL]RIFAMYCIN/RIFAPENTINE HYDROCHLORIDE;RIFAPENTINE;3-[[(4-Cyclopentyl-1-piperazinyl)imino]methyl]rifamycin hydrochloride
EINECS: 262-743-9
PSA: 220.15000
LogP: 5.66200
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Specification

The Rifapentine hydrochloride, with CAS registry number 127923-87-9, has the systematic name of (12Z,14E,16S,17S,18R,19R,20R,21S,22R,24E)-8-{(E)-[(4-cyclopentylpiperazin-1-yl)imino]methyl}-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentade ca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate hydrochloride (1:1). And the chemical formula of this chemical is C47H64N4O12.HCl.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1c(c2c3c4c1OC(C4=O)(OC=CC(C(C(C(C(C(C(C(C=CC=C(C(=O)Nc(c2O)c(c3O)C=NN5CCN(CC5)C6CCCC6)C)C)O)C)O)C)OC(=O)C)C)OC)C)O.Cl
(2)InChI: InChI=1/C47H64N4O12.ClH/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;/h12-14,17,22-24,26-28,31,33,38-39,43,53-57H,10-11,15-16,18-21H2,1-9H3,(H,49,59);1H/b13-12+,22-17+,25-14-,48-23+;/t24-,26+,27+,28+,33?,38-,39+,43+,47?;/m0./s1
(3)InChIKey: YAXMCEWRTZAGIM-VCJXBTEDBM
(4)Std. InChI: InChI=1S/C47H64N4O12.ClH/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;/h12-14,17,22-24,26-28,31,33,38-39,43,53-57H,10-11,15-16,18-21H2,1-9H3,(H,49,59);1H/b13-12+,22-17+,25-14-,48-23+;/t24-,26+,27+,28+,33?,38-,39+,43+,47?;/m0./s1
(5)Std. InChIKey: YAXMCEWRTZAGIM-VCJXBTEDSA-N