Name |
Tubocurarine |
Formula |
C37H41N2O6 |
Exact mass |
609.2965 |
Mol weight |
609.73 |
Structure |
|
Remark |
ATC code: M03AA02Drug group: DG00767 |
Reaction |
R08458 |
Pathway |
map00950 Isoquinoline alkaloid biosynthesismap01063 Biosynthesis of alkaloids derived from shikimate pathwaymap07221 Nicotinic cholinergic receptor antagonists |
Brite |
Phytochemical compounds [BR:br08003] Alkaloids Alkaloids derived from tyrosine Isoquinoline alkaloids C07547 TubocurarineNatural toxins [BR:br08009] Phytotoxins Alkaloids Isoquinoline alkaloids C07547 TubocurarineAnatomical Therapeutic Chemical (ATC) classification [BR:br08303] M MUSCULO-SKELETAL SYSTEM M03 MUSCLE RELAXANTS M03A MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS M03AA Curare alkaloids M03AA02 Tubocurarine C07547 TubocurarineDrug groups [BR:br08330] Musculo-skeletal system agent DG02029 Muscle relaxant DG01696 Peripherally-acting muscle relaxant DG03117 Nondepolarizing neuromuscular blocking agent DG00767 Tubocurarine C07547 Tubocurarine DG01740 Curare alkaloid DG00767 Tubocurarine C07547 Tubocurarine |
Other DBs |
CAS: 57-95-4PubChem: 9750ChEBI: 9774KNApSAcK: C00001927PDB-CCD: TC9[PDBj] NIKKAJI: J193.260H |
LinkDB |
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KCF data |
ATOM 45 1 C8y C 39.3400 -9.5900 2 C1y C 38.2200 -10.2900 3 C8y C 39.3400 -8.2600 4 C8y C 40.5300 -10.2900 5 N2y N 37.0300 -9.5900 #+ 6 C1x C 38.2200 -11.6200 7 C8x C 40.5300 -7.5600 8 C1x C 38.1500 -7.5600 9 C8y C 41.7200 -9.5900 10 C1x C 37.0300 -8.2600 11 C1a C 35.9100 -8.9600 12 C8y C 37.0300 -12.6700 13 C8y C 41.7200 -8.2600 14 O1a O 42.8400 -10.2900 15 C8x C 35.9100 -12.0400 16 C8x C 37.0300 -14.0000 17 O2a O 42.8400 -7.5600 18 C8x C 34.7200 -12.6700 19 C8y C 35.9800 -14.7000 20 C1a C 43.9600 -8.2600 21 C8y C 34.7200 -14.0000 22 O1a O 33.5300 -14.7000 23 C1a C 35.9100 -10.2900 24 O2x O 40.5300 -11.6200 25 N1y N 41.9300 -17.1500 26 C1y C 40.7400 -16.4500 27 C1x C 41.9300 -18.6200 28 C8y C 39.5500 -17.1500 29 C1x C 42.9100 -15.5400 30 C1x C 40.7400 -19.2500 31 C8y C 39.5500 -18.5500 32 C8x C 38.3600 -16.5200 33 C8x C 41.6500 -14.0700 34 C8x C 38.3600 -19.2500 35 C8y C 37.1700 -17.1500 36 C8y C 42.9100 -14.7700 37 C8x C 41.6500 -12.6700 38 C8y C 37.1700 -18.5500 39 O2x O 35.9800 -16.4500 40 C8x C 44.1000 -14.0700 41 C8y C 42.8400 -11.9700 42 O2a O 35.9800 -19.2500 43 C8x C 44.1000 -12.6000 44 C1a C 34.7200 -18.6200 45 C1a C 43.1200 -16.4500BOND 51 1 21 22 1 2 8 10 1 3 9 13 1 4 19 21 1 5 23 5 1 6 4 24 1 7 1 2 1 8 1 3 2 9 1 4 1 10 2 5 1 11 2 6 1 12 3 7 1 13 3 8 1 14 4 9 2 15 5 10 1 16 5 11 1 17 6 12 1 18 7 13 2 19 9 14 1 20 12 15 2 21 12 16 1 22 13 17 1 23 15 18 1 24 16 19 2 25 17 20 1 26 18 21 2 27 25 26 1 28 25 27 1 29 26 28 1 30 26 29 1 31 27 30 1 32 28 31 2 33 28 32 1 34 31 34 1 35 32 35 2 36 33 36 2 37 33 37 1 38 34 38 2 39 35 39 1 40 36 40 1 41 37 41 2 42 38 42 1 43 40 43 2 44 42 44 1 45 30 31 1 46 35 38 1 47 41 43 1 48 25 45 1 49 24 41 1 50 19 39 1 51 36 29 1 |