(Q27282555)

UNII-L0OF19OW3L (English)

14 October 2016

chemical formula

C₁₂H₂₀N₄O₃S

1 reference

UNII-L0OF19OW3L (English)

14 October 2016

canonical SMILES

CNCC1=CC=C(O1)CSCCNC(=C[N+](=O)[O-])NC

1 reference

UNII-L0OF19OW3L (English)

InChI=1S/C12H20N4O3S/c1-13-7-10-3-4-11(19-10)9-20-6-5-15-12(14-2)8-16(17)18/h3-4,8,13-15H,5-7,9H2,1-2H3

14 October 2016

Identifiers

InChI

1 reference

UNII-L0OF19OW3L (English)

14 October 2016

2 references

UNII-L0OF19OW3L (English)

14 October 2016

ChEBI release 2020-09-01

CAS Registry Number

66357-25-3

2 references

Global Substance Registration System

UNII

L0OF19OW3L

desmethylranitidine (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=66357-25-3

10 April 2021

1 reference

N-Methyl-N'-{2-[({5-[(methylamino)methyl]-2-furyl}methyl)sulfanyl]ethyl}-2-nitro-1,1-ethenediamine (English)

14 October 2016

2 references

UNII-L0OF19OW3L (English)

14 October 2016

ChEBI ID

132051

mapping relation type

exact match

2 references

ChEBI release 2019-10-02

International Chemical Identifier

InChI

InChI=1S/C12H20N4O3S/c1-13-7-10-3-4-11(19-10)9-20-6-5-15-12(14-2)8-16(17)18/h3-4,8,13-15H,5-7,9H2,1-2H3

1 reference

1 reference

Human Metabolome Database ID

HMDB0246778

2 references

based on heuristic

inferred from InChIKey

UNII

L0OF19OW3L

2 references

Global Substance Registration System

UNII

L0OF19OW3L

desmethylranitidine (English)

14 October 2016