Basic information
- CAS
97073-66-0- Standard SMILES
CN1CC(=O)N=C1N.Cc1c(O)c(O)cc2[nH]cc(CCN)c12.O=S(=O)(O)O- InChIKey
OKAHFCCFNVPTED-UHFFFAOYSA-N- Molecular formula
- C15H23N5O7S
- Average molar mass
- 417.4 g/mol
- Monoisotopic mass
- 417.13181926
Overview
RN & structure given in first source; RN not in Chemline 10/85; suitable probe for elucidating the molecular mechanism of action of 5,6-DHT
Names & identifiers
- Preferred name
- 4-Methyl-5,6-dihydroxytryptamine
- IUPAC
- 3-(2-aminoethyl)-4-methyl-1H-indole-5,6-diol;2-amino-3-methyl-4H-imidazol-5-one;sulfuric acid
- English name
- factor XIIIb
- Molecular formula
- C15H23N5O7S
- Molecular weight
- 417.43742
Names & synonyms
4-Methyl-5,6-dihydroxytryptamineDTXSID3024269397073-66-0RefChem:912673DTXCID601651844-Me-5,6-DhtFactor xiiibFactorXIII subunit BFactor xiii subunit BCoagulation factor xiiib97089-56-04H-Imidazol-4-one, 2-amino-1,5-dihydro-1-methyl-, compd. with 3-(2-aminoethyl)-4-methyl-1H-indole-5,6-diol sulfate (salt) (1:1:1)
Database identifiers
- CAS
97073-66-0、97089-56-0- PubChem CID
- 126166
- DTXSID
DTXSID30242693
Properties
Computed structural properties
- Topological polar surface area
- 224 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 457
Chemistry & industry
Suppliers1 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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