Mrv0541 06101411052D          

  8  7  0  0  0  0            999 V2000
   -4.8321    0.4714    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1177    0.8839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4032    0.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6887    0.8839    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9743    0.4714    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2598    0.8839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5453    0.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1692    0.8839    0.0000 N   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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
> <ID>
CHEBI:78757

> <NAME>
cystamine

> <DEFINITION>
An organic disulfide obtgained by oxidative dimerisation of cysteamine.

> <STAR>
3

> <SYNONYM>
Mercamine disulfide; Decarboxycystine; Cystinamin; Cysteinamine disulfide; Bis(beta-aminoethyl)disulfide; Bis(beta-aminoethyl)disulfide; beta-Mercaptoethylamine disulfide; beta-Mercaptoethylamine disulfide; beta,beta'-Diaminodiethyl disulfide; beta,beta'-Diaminodiethyl disulfide; Becaptan disulfure; 2-Aminoethyl disulfide; 2,2'-Dithiobis(ethylamine)

> <IUPAC_NAME>
2,2'-disulfanediyldiethanamine

> <FORMULA>
C4H12N2S2

> <MASS>
152.28100

> <MONOISOTOPIC_MASS>
152.04419

> <CHARGE>
0

> <SMILES>
NCCSSCCN

> <INCHI>
InChI=1S/C4H12N2S2/c5-1-3-7-8-4-2-6/h1-6H2

> <INCHIKEY>
APQPRKLAWCIJEK-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
51-85-4

> <REAXYS_REGISTRY_NUMBER>
1736027

> <CHEMIDPLUS>
51-85-4

> <METACYC_ACCESSION>
CYSTAMINE

> <NIST_CHEMISTRY_WEBBOOK>
51-85-4

> <WIKIPEDIA_ACCESSION>
Cystamine

> <PUBMED_CITATION>
23399703; 23905628; 24753704

$$$$