Cas no 498-46-4 (Isoscopine)
Isoscopine structure
Product Name:Isoscopine
CAS No:498-46-4
MF:C8H13NO2
MW:155.194322347641
CID:2014748
PubChem ID:1274465
Update Time:2025-04-21
Isoscopine Chemical and Physical Properties
Names and Identifiers
-
- 7-Epimer-Scopine
- (1α,2β,4β,5α)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7α-ol
- S0912
- 3-OXA-9-AZATRICYCLO(3.3.1.02,4)NONAN-7-OL, 9-METHYL-, (1.ALPHA.,2.BETA.,4.BETA.,5.ALPHA.,7.BETA.)-
- CCG-266261
- FIMXSEMBHGTNKT-UPGAHCIJSA-N
- SCHEMBL18577687
- 3-Oxa-9-azatricyclo(3.3.1.0(2,4))nonan-7-ol, 9-methyl-, (1alpha,2beta,4beta,5alpha,7beta)-
- BRD-K75923785-001-02-5
- DTXSID301151677
- 498-45-3
- Isoscopine
- AB01566856_01
- NCGC00386195-06
- s2545
- rel-(1R,2R,4S,5S,7s)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol
- (1alpha,2beta,4beta,5alpha,7beta)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02.4]nonan-7-ol
- HMS3656M14
- 6,7-Epoxytropine
- DTXSID801030466
- HMS3884D08
- Z5LGM3Q28U
- 3-Oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol, 9-methyl-, (1I+/-,2I(2),4I(2),5I+/-,7I+/-)-
- AKOS015919589
- Q7434451
- (1R,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo(3.3.1.02,4)nonan-7-ol
- A871709
- SW219096-1
- Scopanol
- 1.ALPHA.H,5.ALPHA.H-TROPAN-3.ALPHA.-OL, 6.BETA.,7.BETA.-EPOXY-
- AC-3388
- (1R,2R,4S,5S,7s)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol
- BRD-K75923785-003-02-1
- AKOS025400980
- 498-46-4
- 7-Epoxytropine
- (1.ALPHA.,2.BETA.,4.BETA.,5.ALPHA.,7.BETA.)-9-METHYL-3-OXA-9-AZATRICYCLO(3.3.1.02,4)NONAN-7-OL
- SCHEMBL9889341
- CHEMBL4303536
- HY-B0459
- (1R,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol
- CHEMBL4303435
- Scopin
- FS31413
- PD087721
- (1R,2R,4S,5S,7S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0(2),?]nonan-7-ol
- UNII-Z5LGM3Q28U
- Scopine
-
- Inchi： 1S/C8H13NO2/c1-9-5-2-4(10)3-6(9)8-7(5)11-8/h4-8,10H,2-3H2,1H3
- InChI Key： FIMXSEMBHGTNKT-UHFFFAOYSA-N
- SMILES： CN1C2C3C(C1CC(C2)O)O3
Computed Properties
- Exact Mass: 155.095
- Monoisotopic Mass: 155.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 179
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 36A^2
- XLogP3: -0.2
Experimental Properties
- Density: 1.284
- Boiling Point: 281.3 oC at 760 mmHg
- Flash Point: 123.9 oC
- Refractive Index: 1.573
Isoscopine Security Information
- Signal Word：warning
- Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Safety Instruction： H303+H313+H333
- Storage Condition：Store at recommended temperature
Isoscopine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | I782405-0.5mg |
Isoscopine |
498-46-4 | 0.5mg |
$ 310.00 | 2022-06-04 | ||
| TRC | I782405-2.5mg |
Isoscopine |
498-46-4 | 2.5mg |
$1745.00 | 2023-05-18 | ||
| TRC | I782405-.5mg |
Isoscopine |
498-46-4 | 5mg |
$379.00 | 2023-05-18 | ||
| TRC | I782405-25mg |
Isoscopine |
498-46-4 | 25mg |
$ 19000.00 | 2023-09-07 |
Isoscopine Related Literature
-
Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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