(Q11786072)

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motexafin gadolinium

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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chemical structure

Motexafin gadolinium.svg
1,310 × 730; 69 KB

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image of molecular model or crystal lattice model

Motexafin gadolinium 3D sticks.png
1,000 × 730; 139 KB

depicts

ball-and-stick model

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mass

1,148.4316808840001 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₅₂H₇₂GdN₅O₁₄

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stated in

PubChem

canonical SMILES

CCC1=C(C2=CC3=NC(=CN=C4C=C(C(=CC4=NC=C5C(=C(C(=N5)C=C1[N-]2)CCCO)C)OCCOCCOCCOC)OCCOCCOCCOC)C(=C3CCCO)C)CC.CC(=O)[O-].CC(=O)[O-].[Gd+3]

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Medical Subject Headings

15 March 2018

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Medical Subject Headings

15 March 2018

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Medical Subject Headings

MeSH descriptor ID

C437683

retrieved

15 March 2018

Identifiers

InChI

InChI=1S/C48H66N5O10.2C2H4O2.Gd/c1-7-35-36(8-2)40-28-42-38(12-10-14-55)34(4)46(53-42)32-50-44-30-48(63-26-24-61-22-20-59-18-16-57-6)47(62-25-23-60-21-19-58-17-15-56-5)29-43(44)49-31-45-33(3)37(11-9-13-54)41(52-45)27-39(35)51-40;2*1-2(3)4;/h27-32,54-55H,7-26H2,1-6H3;2*1H3,(H,3,4);/q-1;;;+3/p-2

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stated in

PubChem

InChIKey

VAZLWPAHMORDGR-UHFFFAOYSA-L

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reason for deprecated rank

applies to other chemical entity

intended subject of deprecated statement

motexafin gadolinium hydrate

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imported from Wikimedia project

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imported from Wikimedia project

English Wikipedia

PubChem CID

158385

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imported from Wikimedia project

English Wikipedia

Reaxys registry number

10643305

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Gmelin number

1760576

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ChEBI ID

50161

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imported from Wikimedia project

1 reference

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Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTOX compound identifier

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1 reference

Medical Subject Headings

14 March 2018

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1 reference

imported from Wikimedia project

English Wikipedia

Freebase ID

/m/02qvq3b

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Microsoft Academic ID

2779771664

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(Q11786072)

motexafin gadolinium

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