Apaziquone hydroquinone

CAT: 0931-T201988-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-T201988-01Size:10 mg

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CAS Number

1177895-58-7

Bioactivity

Apaziquone (EOquin, EO9) is an indolequinone compound that acts as a bioreductive prodrug. It is chemically similar to the earlier chemotherapy compound mitomycin C.

Smiles

C(O)C=1C=2C(N(C)C1/C=C/CO)=C(O)C=C(C2O)N3CC3

Molecular Formula

C15H18N2O4

Molecular Weight

290.31

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Apaziquone hydroquinone

CAS Number	1177895-58-7
PubChem CID	445822
IUPAC Name	5-(aziridin-1-yl)-3-(hydroxymethyl)-2-[(E)-3-hydroxyprop-1-enyl]-1-methylindole-4,7-diol
Molecular Formula	C15H18N2O4
Molecular Weight	290.31
XLogP	0.1
Topological Polar Surface Area	88.9
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	21
Formal Charge	0
Complexity	401

SMILES

CN1C(=C(C2=C(C(=CC(=C21)O)N3CC3)O)CO)/C=C/CO

InChI

InChI=1S/C15H18N2O4/c1-16-10(3-2-6-18)9(8-19)13-14(16)12(20)7-11(15(13)21)17-4-5-17/h2-3,7,18-21H,4-6,8H2,1H3/b3-2+

InChIKey

HXBAQKBYZCLYEZ-NSCUHMNNSA-N

Chemical Structure

2D Structure

CAS: 1177895-58-7

CID: 445822

Formula: C15H18N2O4

MW: 290.31

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	290.31
XLogP3	0.1
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	290.12665706
Monoisotopic Mass	290.12665706
Topological Polar Surface Area	88.9 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	401
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
T21316-01	Apaziquone
T20358-01	Hydroquinone diacetate
T71887-01	Hydroquinone monobenzoate
T89232-01	3-Hydroxypropanoic acid-pip-hydroquinone-dihydrouracil
T7126-01	Hydroquinine
T125974-01	Cannabidiol hydroxyquinone

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Catalog	Name
GTR19242635-01	Apaziquone hydroquinone
MBS5773003	Apaziquone
A12406-25	Apaziquone 25mg
A12406-5	Apaziquone 5mg
A12406-100	Apaziquone 100mg
A12406-10	Apaziquone 10mg
FH01233-01	Hydroquinone

Apaziquone hydroquinone

Chemical Information

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