KEGG   DRUG: Amyl nitriteHelp
Entry
D00517                      Drug                                   

Name
Amyl nitrite (JP17/USP);
Aspiral (TN);
Vaporole (TN)
Formula
C5H11NO2
Exact mass
117.079
Mol weight
117.1463
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01657  Nitrovasodilator
Remark
Same as: C07457
Therapeutic category: 2179 3929
ATC code: V03AB22
Product: D00517<JP>
Efficacy
Antidote (cyanide), Vasodilator, Guanylate cyclase activator
  Disease
Angina pectoris [DS:H01632]
Comment
Antidote (cyanide poisoning)
Target
GUCY1A [HSA:2977 2982] [KO:K12318]
GUCY1B [HSA:2983] [KO:K12319]
  Pathway
hsa04270  Vascular smooth muscle contraction
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 V VARIOUS
  V03 ALL OTHER THERAPEUTIC PRODUCTS
   V03A ALL OTHER THERAPEUTIC PRODUCTS
    V03AB Antidotes
     V03AB22 Amyl nitrite
      D00517  Amyl nitrite (JP17/USP) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   217  Vasodilators
    2179  Others
     D00517  Amyl nitrite (JP17/USP)
 3  Agents affecting metabolism
  39  Other agents affecting metabolism
   392  Antidotes
    3929  Others
     D00517  Amyl nitrite (JP17/USP)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Lyases (EC4)
   Phosphorus-oxygen lyases
    GUCY1A
     D00517  Amyl nitrite (JP17/USP) <JP>
    GUCY1B
     D00517  Amyl nitrite (JP17/USP) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00517  Amyl nitrite
BRITE hierarchy
Other DBs
CAS: 110-46-3
PubChem: 7847583
ChEBI: 2691
ChEMBL: CHEMBL1535371
DrugBank: DB01612
LigandBox: D00517
NIKKAJI: J5.092J
LinkDB All DBs
KCF data Show

ATOM        8
            1   C1b C    20.0224  -18.4495
            2   C1b C    21.2325  -17.7455
            3   C1c C    18.8120  -17.7455
            4   O2a O    22.4429  -18.4495
            5   C1a C    17.6018  -18.4495
            6   C1a C    18.8120  -16.3431
            7   N2b N    23.6531  -17.7455
            8   O3a O    24.8633  -18.4436
BOND        7
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     3   6 1
            6     4   7 1
            7     7   8 2

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