RIFAMPICIN

CAT: 0232-R501-25GSize: 25 gDry Ice: NoHazardous: No

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CAT#:0232-R501-25GSize:25 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 Number	13292-46-1
PubChem CID	135398735
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 Formula	C43H58N4O12
Molecular Weight	822.9
XLogP	4.9
Topological Polar Surface Area	220
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	5
Heavy Atom Count	59
Formal Charge	0
Complexity	1620

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

CAS: 13292-46-1

CID: 135398735

Formula: C43H58N4O12

MW: 822.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	822.9
XLogP3	4.9
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	5
Exact Mass	822.40512330
Monoisotopic Mass	822.40512330
Topological Polar Surface Area	220 Å²
Heavy Atom Count	59
Formal Charge	0
Complexity	1620
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	4
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
R003-1G	Rifampicin

RIFAMPICIN

Chemical Information

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