Cas no 3712-25-2 (Ergoline-8-carboxamide,9,10-didehydro-N,N-diethyl-2-iodo-6-methyl-, (8b)- (9CI))
3712-25-2 structure
Product Name:Ergoline-8-carboxamide,9,10-didehydro-N,N-diethyl-2-iodo-6-methyl-, (8b)- (9CI)
CAS No:3712-25-2
MF:C20H24IN3O
MW:449.328536987305
CID:315905
PubChem ID:151142
Update Time:2025-04-19
Ergoline-8-carboxamide,9,10-didehydro-N,N-diethyl-2-iodo-6-methyl-, (8b)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Ergoline-8-carboxamide,9,10-didehydro-N,N-diethyl-2-iodo-6-methyl-, (8b)- (9CI)
- ergoline-8-carboxamide, 9,10-didehydro-N,N-diethyl-2-iodo-6-methyl-, (8beta)-
- 2-Iodolysergic acid diethylamide
- CHEMBL433352
- Iodo-lsd
- BDBM50027030
- D-(+)-N1-Ethyl-2-iodolysergic acid diethylamide
- N,N-Diethyl-2-iodo-6-methyl-9,10-didehydroergoline-8-carboxamide
- (6aR,9R)-N,N-diethyl-5-iodo-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
- 3712-25-2
- DTXSID30958287
-
- Inchi： 1S/C20H24IN3O/c1-4-24(5-2)20(25)12-9-14-13-7-6-8-16-18(13)15(19(21)22-16)10-17(14)23(3)11-12/h6-9,12,17,22H,4-5,10-11H2,1-3H3/t12-,17-/m1/s1
- InChI Key： OBCUQRYIGTWROI-SJKOYZFVSA-N
- SMILES： IC1=C2C3C(=CC=CC=3C3=C[C@@H](C(N(CC)CC)=O)CN(C)[C@@H]3C2)N1
Computed Properties
- Exact Mass: 449.09612
- Monoisotopic Mass: 449.096
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 25
- Rotatable Bond Count: 3
- Complexity: 561
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.6
- Topological Polar Surface Area: 39.3?2
Experimental Properties
- Density: 1.57
- Boiling Point: 592.2°Cat760mmHg
- Flash Point: 311.9°C
- Refractive Index: 1.698
- PSA: 39.34
Ergoline-8-carboxamide,9,10-didehydro-N,N-diethyl-2-iodo-6-methyl-, (8b)- (9CI) Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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