Compound Summary
Atropine sulfate
Compound Information
Atropine sulfate
Compound Name: | Atropine sulfate |
Compound CID: | 60196398 |
Synonyms: | Atropine sulfate 55-48-1 Atropette Tropintran Atropinsulfat More... |
Iupac Name: | [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate;sulfuric acid |
InChI: | InChI=1S/2C17H23NO3.H2O4S/c2*1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;1-5(2,3)4/h2*2-6,13-16,19H,7-11H2,1H3;(H2,1,2,3,4)/t2*13-,14+,15?,16?; |
InChIKey: | HOBWAPHTEJGALG-JKCMADFCSA-N |
Canonical Smiles: | CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.OS(=O)(=O)O |
Isomeric Smiles: | CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.OS(=O)(=O)O |
Molecular Weight: | 676.8 |
Molecular Formula: | C34H48N2O10S |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Atropine sulfate
Molecular Weight: | 676.8 |
Molecular Formula: | C34H48N2O10S |
Hydrogen Bond Donor Count: | 4 |
Hydrogen Bond Acceptor Count: | 12 |
Rotatable Bond Count: | 10 |
Heavy Atom Count: | 47 |
Complexity: | 434 |
Synonyms
Atropine sulfate
| Atropine sulfate | Atropine sulfate |
|---|---|
Atropine sulfate |
55-48-1 |
Atropette |
Tropintran |
Atropinsulfat |
Atropine sulfate anhydrous (2:1) salt |
Atropine sulphate |
Atropisol |
Corbella |
Davurtrop |
Eyesule |
Ryuato |
Atropin siran |
Ichtho-bellol |
Lio-atropin |
Atropine sulfate anhydrous |
Atropinium sulfate |
Sulfate datropine |
Atropine sulfate monohydrate |
Atropine, sulfate (2:1) |
Atropiny siarczan |
Atropin siran Czech |
Atropinsulfat German |
Atropine sulfate (VAN) |
Atropine sulphate (VAN) |
Atropiny siarczan Polish |
2C17H23NO3.H2SO4 |
Sulfate datropine French |
DL-Tropanyl 2-hydroxy-1-phenylpropionate sulfate |
EINECS 200-235-0 |
NSC 26671 |
AI3-14072 |
DSSTox_CID_29379 |
DSSTox_RID_83494 |
DSSTox_GSID_49419 |
SCHEMBL1411666 |
CHEMBL3185794 |
DTXSID3049419 |
HMS3886G08 |
BCP13907 |
Tox21_202846 |
5093AF |
s5493 |
CCG-270363 |
1-alpha-H,5-alpha-H-Tropan-3-alpha-ol (+-)-tropate (ester), sulfate (2:1) salt |
CAS-55-48-1 |
NCGC00260392-01 |
AS-35261 |
Q27282144 |
1alphaH,5alphaH-Tropan-3alpha-ol (+-)-tropate (ester), sulfate (2:1) (salt) (8CI) |
Benzeneacetic acid, a-(hydroxymethyl)-(3-endo)-8-methyl-8-azabicyclo3.2.1oct-3-yl ester, sulfate (2:1) (salt) |
Benzeneacetic acid, alpha-(hydroxymethyl)- (3-endo)-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, sulfate (2:1) |
Benzeneacetic acid, alpha-(hydroxymethyl)- (3-endo)-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, sulfate (2:1) (salt) |
Benzeneacetic acid, alpha-(hydroxymethyl)-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, endo-(+-)-, sulfate (2:1) (salt) |
Experimental Data
Atropine sulfate
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33.000000000000000 | umol/L | -1.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
Atropine sulfate
Statistics Data
Atropine sulfate
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -1.000000000000000 | 1 | 1 |
Statistics Data Visualization
Atropine sulfate
