carboplatin (CHEBI:31355)

ChEBI > Main

CHEBI:31355 - carboplatin

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	carboplatin

ChEBI ID	CHEBI:31355

Definition	A platinum coordination entity with cis square-planar geometry in which platinum(II) is coordinated to two ammonia ligands and a bidentate cyclobutane-1,1-dicarboxylate ligand.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:76407

Supplier Information	ChemicalBook:CB0209324, eMolecules:32278092, eMolecules:901501, Selleckchem:Candesartan(Atacand), ZINC000003782818

Download	Molfile XML SDF

more structures >>

call loadScript javascripts\jsmol\core\package.js

call loadScript javascripts\jsmol\core\core.z.js -- required by ClazzNode

call loadScript javascripts\jsmol\J\awtjs2d\WebOutputChannel.js

Jmol JavaScript applet jmolApplet0_object__303881486906568__ initializing

getValue debug = null

getValue logLevel = null

getValue allowjavascript = null

AppletRegistry.checkIn(jmolApplet0_object__303881486906568__)

call loadScript javascripts\jsmol\core\corestate.z.js

viewerOptions:

{ "name":"jmolApplet0_object","applet":true,"documentBase":"https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:31355","platform":"J.awtjs2d.Platform","fullName":"jmolApplet0_object__303881486906568__","display":"jmolApplet0_canvas2d","signedApplet":"true","appletReadyCallback":"Jmol._readyCallback","statusListener":"[J.appletjs.Jmol.MyStatusListener object]","codeBase":"https://www.ebi.ac.uk/chebi/javascripts/jsmol/","syncId":"303881486906568","bgcolor":"#000" }

Jmol Version: 13.2.7 $Date: 2013-10-01 11:35:15 -0500 (Tue, 01 Oct 2013) $

java.vendor: j2s

java.version: 0.0

os.name: j2s

Access: ALL

memory: 0.0/0.0

processors available: 1

useCommandThread: false

appletId:jmolApplet0_object (signed)

starting HoverWatcher_1

getValue emulate = null

defaults = "Jmol"

getValue boxbgcolor = null

getValue bgcolor = #000

backgroundColor = "#000"

getValue ANIMFRAMECallback = null

getValue APPLETREADYCallback = Jmol._readyCallback

APPLETREADYCallback = "Jmol._readyCallback"

getValue ATOMMOVEDCallback = null

getValue CLICKCallback = null

getValue ECHOCallback = null

getValue ERRORCallback = null

getValue EVALCallback = null

getValue HOVERCallback = null

getValue LOADSTRUCTCallback = null

getValue MEASURECallback = null

getValue MESSAGECallback = null

getValue MINIMIZATIONCallback = null

getValue PICKCallback = null

getValue RESIZECallback = null

getValue SCRIPTCallback = null

getValue SYNCCallback = null

getValue STRUCTUREMODIFIEDCallback = null

getValue doTranslate = null

language=en_US

getValue popupMenu = null

getValue script = null

Jmol applet jmolApplet0_object__303881486906568__ ready

call loadScript javascripts\jsmol\core\corescript.z.js

call loadScript javascripts\jsmol\J\script\FileLoadThread.js

starting QueueThread0_2

script 1 started

starting HoverWatcher_3

starting HoverWatcher_4

The Resolver thinks Mol

QPT - Ideal conformer

Mrv1927 04272110443D

starting HoverWatcher_5

Time for openFile(QPT - Ideal conformer

Mrv1927 04272110443D

25 26 0 0 0 0 999 V2000

1.9870 -0.2890 1.7700 N 0 3 0 0 0 0 0 0 0 0 0 0

1.0030 0.0280 -0.0470 Pt 0 0 1 0 0 4 0 0 0 0 0 0

2.3830 0.3950 -1.5720 N 0 3 0 0 0 0 0 0 0 0 0 0

2.5280 0.5300 2.0060 H 0 0 0 0 0 0 0 0 0 0 0 0

1.3080 -0.4640 2.4940 H 0 0 0 0 0 0 0 0 0 0 0 0

2.9980 -0.3990 -1.6670 H 0 0 0 0 0 0 0 0 0 0 0 0

1.8920 0.5450 -2.4410 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.1630 -1.5620 -0.5100 O 0 0 0 0 0 0 0 0 0 0 0 0

-0.3050 1.5670 0.1130 O 0 0 0 0 0 0 0 0 0 0 0 0

-1.5010 1.0990 0.6050 C 0 0 0 0 0 0 0 0 0 0 0 0

-1.3870 -1.4240 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0

-2.1180 -0.1060 -0.0590 C 0 0 1 0 0 0 0 0 0 0 0 0

-2.0420 1.6380 1.5410 O 0 0 0 0 0 0 0 0 0 0 0 0

-1.8620 -2.3250 0.7530 O 0 0 0 0 0 0 0 0 0 0 0 0

-3.6240 -0.2290 0.2320 C 0 0 1 0 0 0 0 0 0 0 0 0

-3.8550 0.6770 -0.9880 C 0 0 1 0 0 0 0 0 0 0 0 0

-2.5070 0.1670 -1.5230 C 0 0 1 0 0 0 0 0 0 0 0 0

-4.0120 -1.2400 0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0

-3.9250 0.2250 1.1770 H 0 0 0 0 0 0 0 0 0 0 0 0

-4.7080 0.3790 -1.5980 H 0 0 0 0 0 0 0 0 0 0 0 0

-3.8560 1.7410 -0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.9050 0.9420 -1.9980 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.5910 -0.7360 -2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0

2.6010 -1.0850 1.6850 H 0 0 0 0 0 0 0 0 0 0 0 0

2.9250 1.2150 -1.3450 H 0 0 0 0 0 0 0 0 0 0 0 0

1 2 1 0 0 0 0

2 3 1 0 0 0 0

1 4 1 0 0 0 0

1 5 1 0 0 0 0

3 6 1 0 0 0 0

3 7 1 0 0 0 0

2 8 1 0 0 0 0

2 9 1 0 0 0 0

9 10 1 0 0 0 0

8 11 1 0 0 0 0

10 12 1 0 0 0 0

10 13 2 0 0 0 0

11 14 2 0 0 0 0

11 12 1 0 0 0 0

12 17 1 0 0 0 0

12 15 1 0 0 0 0

15 16 1 0 0 0 0

16 17 1 0 0 0 0

15 18 1 0 0 0 0

15 19 1 0 0 0 0

16 20 1 0 0 0 0

16 21 1 0 0 0 0

17 22 1 0 0 0 0

17 23 1 0 0 0 0

1 24 1 0 0 0 0

3 25 1 0 0 0 0

M CHG 2 1 1 3 1

M END): 23 ms

reading 25 atoms

ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false

1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them.

Default Van der Waals type for model set to Babel

25 atoms created

ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation

Script completed

Jmol script terminated

Molfile expand

Wikipedia	License
Candesartan is an angiotensin receptor blocker used mainly for the treatment of high blood pressure and congestive heart failure. Candesartan has a very low maintenance dose. Like olmesartan, the metabolism of the drug is unusual as it is a cascading prodrug. Candesartan has good bioavailibility and is the most potent by weight of the AT-1 receptor antagonists. It was patented in 1990 and approved for medical use in 1997.
Read full article at Wikipedia

Formulae

C6H12N2O4Pt
C6H6O4Pt.2H3N

Net Charge

Average Mass

371.256

Monoisotopic Mass

371.04450

InChI

InChI=1S/C6H8O4.2H3N.Pt/c7-4(8)6(5(9)10)2-1-3-6;;;/h1-3H2,(H,7,8)(H,9,10);2*1H3;/q;;;+2/p-2

InChIKey

OLESAACUTLOWQZ-UHFFFAOYSA-L

SMILES

[H][N]([H])([H])[Pt]1(OC(=O)C2(CCC2)C(=O)O1)[N]([H])([H])[H]

Roles Classification
Biological Role(s):	mutagen An agent that increases the frequency of mutations above the normal background level, usually by interacting directly with DNA and causing it damage, including base substitution.

Application(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

View more via ChEBI Ontology

ChEBI Ontology
Outgoing	carboplatin (CHEBI:31355) has part cyclobutane-1,1-dicarboxylate(2−) (CHEBI:35690) carboplatin (CHEBI:31355) has role antineoplastic agent (CHEBI:35610) carboplatin (CHEBI:31355) has role mutagen (CHEBI:25435) carboplatin (CHEBI:31355) is a platinum coordination entity (CHEBI:33862)

IUPAC Name

(SP-4-2)-diammine[cyclobutane-1,1-dicarboxylato(2−)-κ²O,O']platinum

INNs	Sources
carboplatin	WHO MedNet
carboplatine	WHO MedNet
carboplatino	WHO MedNet
carboplatinum	WHO MedNet

Synonyms	Sources
Carboplatin	KEGG DRUG
cbdca	ChemIDplus
cis-(1,1-cyclobutanedicarboxylato)diammineplatinum(II)	ChemIDplus
cis-diammine(1,1-cyclobutanedicarboxylato)platinum	ChemIDplus
cis-diammine(1,1-cyclobutanedicarboxylato)platinum(II)	ChemIDplus
Paraplatin	ChemIDplus

Manual Xrefs	Databases
Carboplatin	Wikipedia
D01363	KEGG DRUG
DB00958	DrugBank
DE2329485	Patent
HMDB0015093	HMDB
LSM-4265	LINCS
QPT	PDBeChem
View more database links

Registry Numbers	Types	Sources
1044703	Gmelin Registry Number	Gmelin
11327310	Reaxys Registry Number	Reaxys
11335262	Reaxys Registry Number	Reaxys
15523471	Reaxys Registry Number	Reaxys
41575-94-4	CAS Registry Number	KEGG DRUG
41575-94-4	CAS Registry Number	ChemIDplus
51428	Gmelin Registry Number	Gmelin

Citations	Types	Sources
11666286	PubMed citation	Europe PMC
14568240	PubMed citation	Europe PMC
15896850	PubMed citation	Europe PMC
16411667	PubMed citation	Europe PMC
17180231	PubMed citation	Europe PMC
17497898	PubMed citation	Europe PMC
17655933	PubMed citation	Europe PMC
18336396	PubMed citation	Europe PMC
1855275	PubMed citation	Europe PMC
19774597	PubMed citation	Europe PMC
21629880	PubMed citation	Europe PMC
22525758	PubMed citation	Europe PMC
23143236	PubMed citation	Europe PMC
23275170	PubMed citation	Europe PMC
23396873	PubMed citation	Europe PMC
24121332	PubMed citation	Europe PMC
25195879	PubMed citation	Europe PMC
25195881	PubMed citation	Europe PMC
26000441	PubMed citation	Europe PMC
26239545	PubMed citation	Europe PMC
26327386	PubMed citation	Europe PMC
26893290	PubMed citation	Europe PMC
28511060	PubMed citation	Europe PMC
29632935	PubMed citation	Europe PMC
31567140	PubMed citation	Europe PMC
31930743	PubMed citation	Europe PMC
32072678	PubMed citation	Europe PMC
32487607	PubMed citation	Europe PMC
32579504	PubMed citation	Europe PMC
33052033	PubMed citation	Europe PMC
33324858	PubMed citation	Europe PMC
33542435	PubMed citation	Europe PMC
33716231	PubMed citation	Europe PMC
33807309	PubMed citation	Europe PMC
33814494	PubMed citation	Europe PMC
33829940	PubMed citation	Europe PMC
33885718	PubMed citation	Europe PMC
9654475	PubMed citation	Europe PMC

Last Modified

27 April 2021

CHEBI:31355 - carboplatin

ChEBI is part of the ELIXIR infrastructure