Indotecan hydrochloride

CAT: 0931-T71185-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T71185-01Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1228035-68-4

Target

Others, Topoisomerase

Related Pathways

Others, DNA Damage/DNA Repair

Bioactivity

Indotecan hydrochloride is a novel selective and potent topoisomerase I inhibitor with potential anticancer activitity.

Smiles

Cl.COc1cc2c3C(=O)c4cc5OCOc5cc4-c3n(CCCN3CCOCC3)c(=O)c2cc1OC

Molecular Formula

C26H27ClN2O7

Molecular Weight

514.96

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Indotecan Hydrochloride

See also: Indotecan (has active moiety).

CAS Number	1228035-68-4
PubChem CID	25113758
IUPAC Name	15,16-dimethoxy-20-(3-morpholin-4-ylpropyl)-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaene-11,19-dione;hydrochloride
Molecular Formula	C26H27ClN2O7
Molecular Weight	515.0
Topological Polar Surface Area	86.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Heavy Atom Count	36
Formal Charge	0
Complexity	872

SMILES

COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCN6CCOCC6)OC.Cl

InChI

InChI=1S/C26H26N2O7.ClH/c1-31-19-10-15-18(13-20(19)32-2)26(30)28(5-3-4-27-6-8-33-9-7-27)24-16-11-21-22(35-14-34-21)12-17(16)25(29)23(15)24;/h10-13H,3-9,14H2,1-2H3;1H

InChIKey

XOLMUSQONFNQQM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1228035-68-4

CID: 25113758

Formula: C26H27ClN2O7

MW: 515.0

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	515.0
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	514.1506789
Monoisotopic Mass	514.1506789
Topological Polar Surface Area	86.8 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	872
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	2
Compound Is Canonicalized	Yes

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HY-18351A-01	Indotecan (hydrochloride)
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A20979-50	Indotecan 50mg
A20979-100	Indotecan 100mg
A20979-25	Indotecan 25mg
A20979-5	Indotecan 5mg
A20979-1	Indotecan 1mg
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Indotecan hydrochloride

Chemical Information

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