(Q27132758)

English

pemetrexed(2-)

chemical compound

(2S)-2-({4-[2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}amino)pentanedioate
pemetrexed dianion

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Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

0 references

mass

425.13463048781995 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₀H₁₉N₅O₆²⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C1=CC(=CC=C1CCC2=CNC3=C2C(=O)N=C(N3)N)C(=O)NC(CCC(=O)[O-])C(=O)[O-]

1 reference

language of work or name

English

title

pemetrexed dianion (English)

retrieved

7 October 2016

isomeric SMILES

C1=CC(=CC=C1CCC2=CNC3=C2C(=O)N=C(N3)N)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]

1 reference

language of work or name

English

title

pemetrexed dianion (English)

retrieved

7 October 2016

Identifiers

InChI

InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/p-2/t13-/m0/s1

1 reference

language of work or name

English

title

pemetrexed dianion (English)

retrieved

7 October 2016

InChIKey

WBXPDJSOTKVWSJ-ZDUSSCGKSA-L

2 references

language of work or name

English

title

pemetrexed dianion (English)

retrieved

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

language of work or name

English

title

pemetrexed dianion (English)

retrieved

7 October 2016

ChEBI ID

63724

mapping relation type

1 reference

language of work or name

English

title

pemetrexed(2-) (English)

retrieved

7 October 2016

Probes And Drugs ID

PD013064

0 references

(Q27132758)

pemetrexed(2-)

Statements

Identifiers

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