Chloralose
fo-07a864b9d4ac8175
Identity
- Type
- Neutral molecule
- CAS
- 15879-93-3
- EC
- 240-016-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.
Alternative labels
25- 1,2-O-[(1R)-2,2,2-Trichloroethylidene]-α-D-glucofuranose
- AGC
- AGC (carbohydrate)
- Alpha 4
- alphachloralose
- Alphakil
- anhydroglucochloral
- Aphosal
- chloralosane
- Chloralose, α-
- Dorcalm
- Dulcidor
- Furo[2,3-d]-1,3-dioxole, α-D-glucofuranose deriv.
- glucochloral
- glucochloralose
- kalmettumsomniferum
- Murex
- Murex (carbohydrate)
- Somio
- α-Chloralose
- α-D-Chloralose
- α-D-Glucofuranose, 1,2-O-(2,2,2-trichloroethylidene)-, (R)-
- α-D-Glucofuranose, 1,2-O-[(1R)-2,2,2-trichloroethylidene]-
- α-Glucochloralose
- α-Monotrichloroethylidene-D-glucose
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | OJYGBLRPYBAHRT-IPQSZEQASA-N, OJYGBLRPYBAHRT-OPKHMCHVSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C8H11Cl3O6/c9-8(10,11)7-16-5-3(14)4(2(13)1-12)15-6(5)17-7/h2-7,12-14H,1H2/t2-,3+,4-,5-,6-,7-/m1/s1, InChI=1S/C8H11Cl3O6/c9-8(10,11)7-16-5-3(14)4(2(13)1-12)15-6(5)17-7/h2-7,12-14H,1H2/t2?,3-,4+,5+,6?,7+/m0/s1 |
| Isomeric SMILES string chemrof:isomeric_smiles_string | [H][C@]1(C(Cl)(Cl)Cl)OC2O[C@H](C(O)CO)[C@H](O)[C@H]2O1 |
| Molecular formula chemrof:molecular_formula | C8H11Cl3O6 |
| Molecular mass chemrof:molecular_mass | 309.529 |
| Monoisotopic mass chemrof:monoisotopic_mass | 307.96212, 307.962121 |
| SMILES string chemrof:smiles_string | OCC(O)C1OC2OC(C(Cl)(Cl)Cl)OC2C1O |
Known URLs
4Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=15879-93-3 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81902 | enrich_references.chebi_id_link |
| drugcentral | drugcentral:3086 | enrich_references.chebi_xrefs |
| KEGG | https://www.genome.jp/entry/C18707 | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 8d495051-5210-40f0-a1e5-9d80b7b1a267 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 0 |
| 63573f21-aacf-4795-a571-eee3191e9236 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 0 |
| ee67a883-dfbd-4a7d-9977-98df456206bd | Environmental → Air → Indoor | EF 3.1 | kg | 0 |
| eab0ecbf-fc74-4e2e-b7bb-1ef5b6de8015 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| ffb3d08d-294e-494e-a408-cc5ba29c08bc | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 0 |
| 2f0373ea-fc3a-4c4b-949b-e68fd9a69332 | Environmental → Air → Unknown | EF 3.1 | kg | 0 |
| 44e2af53-77c8-4580-94d6-8eed5093f9dc | Environmental → Ground → Agricultural | EF 3.1 | kg | 0 |
| b66fe13d-c619-4789-a6ec-972b04024f28 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 0 |
| 99578188-ee88-4758-8f88-c2e32fc2abef | Environmental → Ground → Unknown | EF 3.1 | kg | 0 |
| ea6a1013-f385-429f-a4e5-6e9f84238e7c | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| d576a78a-368e-4cee-ae97-fa853be6b8c6 | Environmental → Water → Ocean | EF 3.1 | kg | 0 |
| a853a5ee-7e07-4230-8147-1d88d2500bb4 | Environmental → Water → Surface water | EF 3.1 | kg | 0 |
| c6bea1c3-5624-4840-b301-1fe9ae9d4b7e | Environmental → Water → Unknown | EF 3.1 | kg | 0 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
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