Cas no 855612-60-1 ((+)-Lysergic acid)
(+)-Lysergic acid structure
Product Name:(+)-Lysergic acid
CAS No:855612-60-1
MF:C16H16N2O2
MW:268.310443878174
CID:6644591
PubChem ID:622688
Update Time:2025-08-19
(+)-Lysergic acid Chemical and Physical Properties
Names and Identifiers
-
- ZAGRKAFMISFKIO-UHFFFAOYSA-N
- Ergoline-8.beta.-carboxylic acid, 9,10-didehydro-6-methyl-
- 6-Methyl-9,10-didehydroergoline-8-carboxylic acid-, (8.beta.)-
- DTXSID801016848
- 82-58-6
- (5Xi)-6-Methyl-9,10-didehydroergoline-8-carboxylic acid
- Indolo[4,3-fg]quinoline, ergoline-8-carboxylic acid deriv.
- LYSERGIC ACID
- Ergoline-8-carboxylic acid, 9,10-didehydro-6-methyl-, (8.beta.)-
- D-Lysergic acid
- NSC_622688
- CAS_82-58-6
- SCHEMBL12951376
- BDBM82080
- D(+)-Lysergic acid
- L000805
- (+)-Lysergic acid
-
- Inchi： 1S/C16H16N2O2/c1-18-8-10(16(19)20)5-12-11-3-2-4-13-15(11)9(7-17-13)6-14(12)18/h2-5,7,10,14,17H,6,8H2,1H3,(H,19,20)
- InChI Key： ZAGRKAFMISFKIO-UHFFFAOYSA-N
- SMILES： OC(C1C=C2C3C=CC=C4C=3C(=CN4)CC2N(C)C1)=O
Computed Properties
- Exact Mass: 268.121177757g/mol
- Monoisotopic Mass: 268.121177757g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 1
- Complexity: 461
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0
- Topological Polar Surface Area: 56.3?2
(+)-Lysergic acid Related Literature
-
James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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