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RIFAMPICIN

CAT: 0232-R501-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0232-R501-10GSize:10 g
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CAS Number
13292-46-1

Chemical Information

Rifampicin

Rifampin can cause developmental toxicity and female reproductive toxicity according to state or federal government labeling requirements.

CAS Number13292-46-1
PubChem CID135398735
IUPAC Name[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-[(E)-(4-methylpiperazin-1-yl)iminomethyl]-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate
Molecular FormulaC43H58N4O12
Molecular Weight822.9
XLogP4.9
Topological Polar Surface Area220
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count15
Rotatable Bond Count5
Heavy Atom Count59
Formal Charge0
Complexity1620
SMILES
C[C@H]1/C=C/C=C(\C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)/C=N/N5CCN(CC5)C)/C
InChI
InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1
InChIKey
JQXXHWHPUNPDRT-WLSIYKJHSA-N
Chemical Structure
2D Structure
2D structure of Rifampicin
CAS: 13292-46-1
CID: 135398735
Formula: C43H58N4O12
MW: 822.9
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight822.9
XLogP34.9
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count15
Rotatable Bond Count5
Exact Mass822.40512330
Monoisotopic Mass822.40512330
Topological Polar Surface Area220 Ų
Heavy Atom Count59
Formal Charge0
Complexity1620
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
R003-1GRifampicin

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