Methylene blue
fo-cbee14ffad1e3b19
Identity
- Type
- Chemical salt
- CAS
- 61-73-4
- EC
- 200-515-2
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 58 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
81- 3,7-Bis(dimethylamino)-5λ4-phenothiazin-5-ylium chloride
- 3,7-bis(dimethylamino)phenothiazin-5-ium chloride
- Aizen Methylene Blue BH
- Aizen Methylene Blue FZ
- azul de metileno
- Basic Blue 2B
- Basic Blue 9
- Basic Lake Blue
- bleu de methylene
- C.I. Basic Blue 9
- C.I. Solvent Blue 8
- Calcozine Blue ZF
- chlorure de methylthioninium
- Chromosmon
- cloruro de metiltioninio
- Duasyn Basic Blue IAD
- Ext D and C Blue No. 1
- External Blue 1
- Hidaco Methylene Blue Salt Free
- Izit Crystal Dye
- Leather Pure Blue HB
- Loffler's alkaline Methylene Blue
- Maxilon Blue SG
- MeSH ID: D008751
- Methylenblau
- Methylene Blue 2B
- Methylene Blue 2BF
- Methylene Blue 2BN
- Methylene Blue 2BP
- Methylene Blue A
- Methylene Blue anhydrous
- Methylene Blue B
- Methylene Blue BB
- Methylene Blue BBA
- Methylene Blue BD
- Methylene Blue BP
- Methylene Blue BPC
- Methylene Blue BX
- Methylene Blue BZ
- Methylene Blue chloride
- Methylene Blue D
- Methylene Blue FZ
- Methylene Blue G
- Methylene Blue GZ
- Methylene Blue HGG
- Methylene Blue Iad
- Methylene Blue JFA
- Methylene Blue MB
- Methylene Blue N
- Methylene Blue NF
- Methylene Blue NZ
- Methylene blue polychrome
- Methylene Blue SG
- Methylene Blue solution alkaline according to Loeffler
- Methylene Blue SP
- Methylene Blue ZF
- Methylene Blue Zinc Free
- Methylene Blue ZX
- Methylenium ceruleum
- Methylthionine chloride
- methylthioninii chloridum
- Methylthioninium Chloride
- Methylthioninium chloride Proveblue
- Mitsui Methylene Blue
- Phenothiazin-5-ium, 3,7-bis(dimethylamino)-, chloride
- Phenothiazin-5-ium, 3,7-bis(dimethylamino)-, chloride (1:1)
- Proveblue
- Rember TM
- Sandocryl Blue BRL
- Sigma A 4043
- Solvent blue 8
- ST 093058
- ST093058
- Suvus
- Swiss blue
- Tetramethylthionine
- Tetramethylthionine chloride
- Urolene Blue
- Virostat
- Yamamoto Methylene Blue B
- Yamamoto Methylene Blue ZF
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | CXKWCBBOMKCUKX-UHFFFAOYSA-M |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C16H18N3S.ClH/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;/h5-10H,1-4H3;1H/q+1;/p-1 |
| IUPAC name chemrof:IUPAC_name | [7-(dimethylamino)-3-phenothiazinylidene]-dimethylammonium chloride, [7-(dimethylamino)phenothiazin-3-ylidene]-dimethyl-ammonium chloride, [7-(dimethylamino)phenothiazin-3-ylidene]-dimethyl-azanium chloride, [7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium chloride |
| Molecular formula chemrof:molecular_formula | C16H18ClN3S, C16H18N3S.Cl |
| Molecular mass chemrof:molecular_mass | 319.861 |
| Monoisotopic mass chemrof:monoisotopic_mass | 319.090996, 319.091 |
| SMILES string chemrof:smiles_string | CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.[Cl-], CN(C)c1ccc2nc3ccc(N(C)C)cc3[s+]c2c1.[Cl-] |
Known URLs
77Where 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.
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 5bc9a9b5-cd34-4f86-98e4-9b4d85b69df0 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 1451f0bb-f534-4367-8333-935b12deb3c6 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 208f8e11-adf3-4414-885f-4d0d94ad900b | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 215f6a00-bcd7-4e73-91ed-965ff4cf816b | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| d83b5fba-eb91-4732-8c8b-33c34105534c | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| d4e7dd77-94c2-4c87-9543-0aaf23c5508e | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 8ca4839b-837b-4f87-96e7-7e2eba4abae3 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 45bbd7ee-1dc6-4f58-a2b9-3c77bf3118a7 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 9f38d026-d542-4dc5-82a1-924883a713e8 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 5000423b-1db3-41ec-9815-f9a1b51ed8f1 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 464dfc7d-ea3c-4135-bf91-a1ce2e6c92a5 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 8f45b140-f155-485e-96f7-21f8476892dc | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 46cda92a-00aa-4e99-975e-b90fceed9eac | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (58 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-cbee14ffad1e3b19",
"prefLabel": [
{
"@value": "Methylene blue",
"@language": "en",
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}
],
"altLabel": [
{
"@value": "3,7-Bis(dimethylamino)-5λ4-phenothiazin-5-ylium chloride",
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},
{
"@value": "3,7-bis(dimethylamino)phenothiazin-5-ium chloride",
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},
{
"@value": "Aizen Methylene Blue BH",
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},
{
"@value": "Aizen Methylene Blue FZ",
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},
{
"@value": "azul de metileno",
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},
{
"@value": "Basic Blue 2B",
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{
"@value": "Basic Blue 9",
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{
"@value": "Basic Lake Blue",
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},
{
"@value": "bleu de methylene",
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},
{
"@value": "C.I. Basic Blue 9",
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{
"@value": "C.I. Solvent Blue 8",
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},
{
"@value": "Calcozine Blue ZF",
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},
{
"@value": "chlorure de methylthioninium",
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},
{
"@value": "Chromosmon",
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},
{
"@value": "cloruro de metiltioninio",
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},
{
"@value": "Duasyn Basic Blue IAD",
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},
{
"@value": "Ext D and C Blue No. 1",
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},
{
"@value": "External Blue 1",
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},
{
"@value": "Hidaco Methylene Blue Salt Free",
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}
},
{
"@value": "Izit Crystal Dye",
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}
},
{
"@value": "Leather Pure Blue HB",
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},
{
"@value": "Loffler's alkaline Methylene Blue",
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},
{
"@value": "Maxilon Blue SG",
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{
"@value": "MeSH ID: D008751",
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},
{
"@value": "Methylenblau",
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},
{
"@value": "Methylene Blue 2B",
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}
},
{
"@value": "Methylene Blue 2BF",
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}
},
{
"@value": "Methylene Blue 2BN",
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},
{
"@value": "Methylene Blue 2BP",
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}
},
{
"@value": "Methylene Blue A",
"@language": "en",
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}
},
{
"@value": "Methylene Blue anhydrous",
"@language": "en",
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},
{
"@value": "Methylene Blue B",
"@language": "en",
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}
},
{
"@value": "Methylene Blue BB",
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},
{
"@value": "Methylene Blue BBA",
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},
{
"@value": "Methylene Blue BD",
"@language": "en",
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}
},
{
"@value": "Methylene Blue BP",
"@language": "en",
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},
{
"@value": "Methylene Blue BPC",
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},
{
"@value": "Methylene Blue BX",
"@language": "en",
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},
{
"@value": "Methylene Blue BZ",
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},
{
"@value": "Methylene Blue chloride",
"@language": "en",
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