Rifampicin

CAS Number: 13292-46-1

Molecular Mass: 822.9 g/mol

Formula: C₄₃H₅₈N₄O₁₂

Smiles: CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C

Synonymes:

Rifampicin, MFCD00151389, SCHEMBL29412608, cid_5381226, Rifampin, Molecular Biology Grade, BDBM200235, KUC109578N, KSC-233-049, NCGC00160500-01, [(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-[(Z)-(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

Bioactivity: -

Solubility in Different Solvents

Solvent	Temperature [K]	Crystal form	Solubility [mg/mL]	Reference
2-Butanol	298.2	-	4.277	[274]
2-Butanol	303.2	-	4.519	[274]
2-Butanol	308.2	-	5.2	[274]
2-Butanol	313.2	-	6.662	[274]
Diethylene Glycol Monoethyl Ether	298.2	-	5.854	[274]
Diethylene Glycol Monoethyl Ether	303.2	-	7.81	[274]
Diethylene Glycol Monoethyl Ether	308.2	-	15.0	[274]
Diethylene Glycol Monoethyl Ether	313.2	-	29.3	[274]
Diethylene Glycol Monoethyl Ether	318.2	-	108.0	[274]
Ethanol	298.2	-	1.54	[274]
Ethanol	303.2	-	2.23	[274]
Ethanol	308.2	-	3.19	[274]
Ethanol	313.2	-	4.97	[274]
Ethanol	318.2	-	7.27	[274]
Ethyl acetate	298.2	-	4.51	[274]
Ethyl acetate	303.2	-	6.14	[274]
Ethyl acetate	308.2	-	7.26	[274]
Ethyl acetate	313.2	-	75.1	[274]
Ethyl acetate	318.2	-	107.0	[274]
Isopropanol	298.2	-	7.81	[274]
Isopropanol	303.2	-	9.48	[274]
Isopropanol	313.2	-	16.9	[274]
Isopropanol	318.2	-	17.8	[274]

Molecule 3D descriptors

Descriptor	Value
PMI1	10557.4685
PMI2	16896.0659
PMI3	17891.9628
NPR1	0.5901
NPR2	0.9443
RadiusOfGyration	5.2489
InertialShapeFactor	0.0001
Eccentricity	0.8074
Asphericity	0.0924
SpherocityIndex	0.5669
PBF	2.0103