thiocyclam oxalate (Q27278701)

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chemical compound

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Language	Label	Description	Also known as
English	thiocyclam oxalate	chemical compound

Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

0 references

has use

nereistoxins

0 references

chemical structure

Thiocyclam.svg
512 × 350; 15 KB

0 references

mass

271.001±0 dalton

1 reference

stated in

PubChem

PubChem CID

35969

language of work or name

English

title

Evisect (English)

retrieved

14 October 2016

chemical formula

C₇H₁₃NO₄S₃

1 reference

stated in

PubChem

PubChem CID

35969

language of work or name

English

title

Evisect (English)

retrieved

14 October 2016

canonical SMILES

CN(C)C1CSSSC1.C(=O)(C(=O)O)O

1 reference

stated in

PubChem

PubChem CID

35969

language of work or name

English

title

Evisect (English)

retrieved

14 October 2016

Identifiers

InChI

InChI=1S/C5H11NS3.C2H2O4/c1-6(2)5-3-7-9-8-4-5;3-1(4)2(5)6/h5H,3-4H2,1-2H3;(H,3,4)(H,5,6)

1 reference

stated in

PubChem

PubChem CID

35969

language of work or name

English

title

Evisect (English)

retrieved

14 October 2016

InChIKey

ICTQUFQQEYSGGJ-UHFFFAOYSA-N

2 references

stated in

PubChem

PubChem CID

35969

language of work or name

English

title

Evisect (English)

retrieved

14 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

31895-22-4

2 references

stated in

Global Substance Registration System

UNII

G3LOM1T4X9

language of work or name

English

title

thiocyclam oxalate (English)

retrieved

14 October 2016

InChIKey

ICTQUFQQEYSGGJ-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

9 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=31895-22-4

ChemSpider ID

33083

1 reference

stated in

ChemSpider

ChemSpider ID

33083

language of work or name

English

title

thiocyclam oxalate (JMAF) (English)

retrieved

14 October 2016

PubChem CID

35969

2 references

stated in

PubChem

PubChem CID

35969

language of work or name

English

title

Evisect (English)

retrieved

14 October 2016

matched by identifier from

InChIKey

InChIKey

ICTQUFQQEYSGGJ-UHFFFAOYSA-N

ChEBI ID

133553

mapping relation type

exact match

2 references

stated in

ChEBI release 2019-10-02

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C5H11NS3.C2H2O4/c1-6(2)5-3-7-9-8-4-5;3-1(4)2(5)6/h5H,3-4H2,1-2H3;(H,3,4)(H,5,6)

ChEMBL ID

CHEMBL2270412

1 reference

stated in

ChEMBL

ChEMBL ID

CHEMBL2270412

language of work or name

English

title

THIOCYCLAM HYDROGEN OXALATE (English)

retrieved

14 October 2016

SureChEMBL ID

SCHEMBL143310

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

ICTQUFQQEYSGGJ-UHFFFAOYSA-N

UniChem compound ID

23244112

1 reference

stated in

UniChem

ZVG number

490694

0 references

DSSTox substance ID

DTXSID0047036

2 references

stated in

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

matched by identifier from

InChIKey

InChIKey

ICTQUFQQEYSGGJ-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID8027036

0 references

EC number

250-859-2

1 reference

stated in

Global Substance Registration System

UNII

G3LOM1T4X9

language of work or name

English

title

thiocyclam oxalate (English)

retrieved

14 October 2016

ECHA Substance Infocard ID

100.046.221

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.046.221

retrieved

27 December 2018

title

Bis(1,2,3-trithiacyclohexyldimethylammonium) oxalate (English)

quotation

CAS no.: 31895-22-4 (English)

UNII

G3LOM1T4X9

2 references

stated in

Global Substance Registration System

UNII

G3LOM1T4X9

language of work or name

English

title

thiocyclam oxalate (English)

retrieved

14 October 2016

matched by identifier from

InChIKey

InChIKey

ICTQUFQQEYSGGJ-UHFFFAOYSA-N

HCIS ID

529

0 references

 

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