Basic Information | Post buying leads | Suppliers |
Name |
Elargin |
EINECS | 218-516-1 |
CAS No. | 2169-75-7 | Density | 1.15g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C23H27NO•C6H8O7 | Boiling Point | 446.3°Cat760mmHg |
Molecular Weight | 525.65 | Flash Point | 130.4°C |
Transport Information | N/A | Appearance | N/A |
Safety | A poison by ingestion, intraperitoneal, intravenous route. When heated to decomposition it emits toxic vapors of NOx. | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | A poison by ingestion. | |
Synonyms |
Brontin (Porontine);Deptrin;Su-Brontine;Brontisol;3-.alpha.-[(10,11-dihydro-5H-dibenzo[a, d]cyclohepten-5-yl)oxy]tropan dihydrogen citrate;B. S. 6987;Elamol;Dibenzheptropine citrate;Brontina;Brontine;Deptropine citrate;1-.alpha.-H,5-.alpha.-H-triopane, 3-.alpha.-[ (10, 11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)oxy]-, citrate (1:1);1.alpha.H,5.alpha.H-Tropane, 3.alpha.-[ (10, 11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)oxy]-, citrate (1:1);Brontin;Elargyl;8-Azabicyclo[3.2.1]octane,3-[(10,11-dihydro- 5H-dibenzo[a,d]cyclohepten-5-yl)oxy]-8- methyl-,(3-endo)-,2-hydroxy-1,2,3-propanetricarboxylate (1:1);8-Azabicyclo[3.2.1]octane, 3-[ (10,11-dihydro-5H-dibenzo[a, d]cyclohepten-5-yl)oxy]-8-methyl-, endo-, 2-hydroxy-1,2, 3-propanetricarboxylate (1:1);BS 6987;3-α-((10,11-DIHYDRO-5H-DIBENZO-(A,D)CYCLOHEPTEN-5-YL)OXY)TROPAN DIHYDROGEN CITRATE;3-α-(10,11-DIHYDRO-5H-DIBENZO(A,D)CYCLOHEPTEN-5-YLOXY)-TROPANE CITRATE;1-α-H,5-α-H-TROPANE, 3-α-((10,11-DIHYDRO-5H-DIBENZO(AD)CYCLOHEPTEN-5-YL)OXY)-, CITRATE (1:1);DIBENZ-HEPTROPINE;TROPANE, 3-α-((10,11-DIHYDRO-5H-DIBENZO(A,D)CYCLO-HEPTEN-5-YL)OXY)-, CITRATE (1:1); |
Molecule structure of Elargin (CAS NO.2169-75-7) :
Molecular Weight: 525.5901 g/mol
Molecular Formula: C29H35NO8
Boiling Point: 640.5 °C at 760 mmHg
Flash Point: 341.2 °C
Enthalpy of Vaporization: 99.38 kJ/mol
Vapour Pressure: 2.79E-17 mmHg at 25 °C
H-Bond Donor: 4
H-Bond Acceptor: 9
Rotatable Bond Count: 7
Exact Mass: 525.236267
MonoIsotopic Mass: 525.236267
Topological Polar Surface Area: 145
Heavy Atom Count: 38
Complexity: 654
Canonical SMILES: CN1C2CCC1CC(C2)OC3C4=CC=CC=C4CCC5=CC=CC=C35.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
InChI: InChI=1S/C23H27NO.C6H8O7/c1-24-18-12-13-19(24)15-20(14-18)25-23-21-8-4-2-6-16(21)10-11-17-7-3-5-9-22(17)23;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-9,18-20,23H,10-15H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKey: CHQGYMXXKZPWOI-UHFFFAOYSA-N
EINECS of Elargin (CAS NO.2169-75-7) : 218-516-1
1. | orl-rat LD50:445 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 148 (1964),135. | ||
2. | orl-mus LD50:300 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 23 (1973),854. | ||
3. | ipr-mus LD50:66 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 23 (1973),854. | ||
4. | ivn-mus LD50:32 mg/kg | APPNAH Acta Physiologica et Pharmacologica Neerlandica. 11 (1962),104. | ||
5. | orl-dog LD50:75 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 148 (1964),135. |
A poison by ingestion, intraperitoneal, intravenous route. When heated to decomposition it emits toxic vapors of NOx.
Elargin (CAS NO.2169-75-7) is also called 3-(10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-yloxy)tropane citrate ; 3-alpha-((10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)oxy)tropan dihydrogen citrate ; 3-alpha-(10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-yloxy)tropane citrate ; Brontin ; Brontin (Porontine) ; Brontina ; Brontine ; Brontisol ; Deptrin ; Deptropine citrate ; Dibenzheptropine citrate ; Elamol ; Elargyl ; NSC 169431 ; SU-Brontine ; Tropane, 3alpha-((10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)oxy)-, citrate (1:1) .