Rifabutin EP Impurity A

CAT: 1299-RM-R090701-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-R090701-01Size:10 mg

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CAS Number

72544-16-2

Synonyms

1-isobutylpiperidin-4-one

Molecular Formula

C9H17NO

Molecular Weight

155.24

Target Alternative Name

Rifabutin

Product Name Synonym

1-isobutylpiperidin-4-one

Chemical Information

1-Isobutyl-4-piperidone

CAS Number	72544-16-2
PubChem CID	4202451
IUPAC Name	1-(2-methylpropyl)piperidin-4-one
Molecular Formula	C9H17NO
Molecular Weight	155.24
XLogP	1
Topological Polar Surface Area	20.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	132

SMILES

CC(C)CN1CCC(=O)CC1

InChI

InChI=1S/C9H17NO/c1-8(2)7-10-5-3-9(11)4-6-10/h8H,3-7H2,1-2H3

InChIKey

KMTASGXMTBUSSP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 72544-16-2

CID: 4202451

Formula: C9H17NO

MW: 155.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	155.24
XLogP3	1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	155.131014166
Monoisotopic Mass	155.131014166
Topological Polar Surface Area	20.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	132
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-R090709-01	Rifabutin Impurity 9 (Rifabutin N-Oxide)
RM-R090708-01	Rifabutin Impurity 8 (Rifabutin N-Oxide Open Ring)
RM-R090706-01	Rifabutin Impurity 6 (14R-isomer)
RM-R090707-01	Rifabutin Impurity 7 (21R-isomer)
RM-R090700-01	Rifabutin
RM-I130401-01	Miconazole Nitrate EP Impurity A; Miconazole EP Impurity A; Econazole EP Impurity A; Sertaconazole Nitrate EP Impurity A; Enilconazole EP Impurity E
RM-T182601-01	Terazosin EP Impurity A; Alfuzosin EP Impurity B; Doxazosin EP Impurity F; Prazosin EP Impurity A
RM-C010601-01	Caffeine EP Impurity A; Dimenhydrinate EP Impurity A; Diprophylline EP Impurity B; Pentoxifylline EP Impurity C
RM-L040301-01	Lidocaine EP Impurity A; Ropivacaine EP Impurity H; Bupivacaine EP Impurity F; Mepivacaine EP Impurity A
RM-I140401-01	Indometacin EP Impurity A; Bezafibrate EP Impurity B; Acemetacin EP Impurity A; Clopamide EP Impurity B

Catalog	Name
AR-R10923-01	Rifabutin Impurity 2 (21-epi-Rifabutin)
AR-R10926-01	Rifabutin Impurity 1 (14-epi-Rifabutin)
464711-01	Rifabutin Impurity C
AR-R10924-01	Rifabutin Impurity 3
AR-R01541-01	Rifabutin EP Impurity E
AR-R01544-01	Rifabutin EP Impurity B
AR-R01545-01	Rifabutin EP Impurity C
AR-R01546-01	Rifabutin EP Impurity D
AR-R01542-01	Rifabutin EP Impurity E-d7
AR27727-01	Rifabutin