Basic information
- CAS
3589-73-9- Standard SMILES
COc1ccc2[nH]c3c(c2c1)CCN=C3C- InChIKey
HMBHRMFLDKKSCT-UHFFFAOYSA-N- Molecular formula
- C13H14N2O
- Average molar mass
- 214.26 g/mol
- Monoisotopic mass
- 214.11061307
Overview
6-methoxy-1-methyl-3,4-dihydro-2H-pyrido[3,4-b]indole is a harmala alkaloid.
Names & identifiers
- Preferred name
- 6-Methoxyharmalan
- IUPAC
- 6-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole
- English name
- 6-Methoxyharmalan
- Molecular formula
- C13H14N2O
- Molecular weight
- 214.26
Names & synonyms
6-Methoxyharmalan3589-73-96-Methoxyharmalane10-Methoxyharmalan43F45VJV8C1-Methyl-6-methoxy-dihydro-beta-carboline6-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole6-Methoxy-1-methyl-4,9-dihydro-3H-pyrido(3,4-b)indoleRefChem:9140251-Me-6-MDHBCMethoxy-6-harmalan6-methoxy-1-methyl-3,4-dihydro-2H-pyrido[3,4-b]indole
Show more names
4,9-DIHYDRO-6-METHOXY-1-METHYL-3H-PYRIDOL[3,4-B]INDOLE6-Methyl harmalan6-METHOXYPHARMALAN
CHEMBL3381156-METHOXY-1-METHYL-3H,4H,9H-PYRIDO[3,4-B]INDOLE9H-Pyrido[3,4-b]indole,6-methoxy-1-methyl-4,9-Dihydro-6-methoxy-1-methyl-3H-pyrido(3,4-b)indoleUNII-43F45VJV8C3,4-DIHYDROMETHOXYHARMANPrestwick_3246-Methoxy-Harmalan
Database identifiers
- CAS
3589-73-9- PubChem CID
- 417052
- ChEMBL
CHEMBL338115- ChEBI
CHEBI:92962
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 302
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- form
- crystalline
- color
- yellow
- CAS DataBase Reference
- 3589 · 3589-73-9(CAS DataBase Reference)
- FDA UNII
- 43 F45VJV8C · 43F45VJV8C
- NIST Chemistry Reference
- 3 H-pyrido · 3H-pyrido(3,4-b)indole, 4,9-dihydro-6-methoxy-1-methyl-, monohydrochloride(3589-73-9)
- WGK Germany
- 3 · 3
- RTECS
- 9802000 · UU9802000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- rtecs
- UU9802000
Chemistry & industry
Applications
DescriptionA carboline alkaloid, this base occurs in the stems and leaves of Virola cuspidata. The structure has been shown to be 3:4-dihydro-6-methoxy-l-methyl-iJ-carboline from spectroscopic evidence.
Uses6-Methoxyharmalan is useful in the treatment of autophagy-associated disorders
Uses• ;Reactant for preparation of TRPV1-dependent vasodilator1
Suppliers10 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
河南阿尔法化工有限公司0371-55051623 18137891487 · [email protected]
资川生化科技(苏州)有限公司0512-66317708 13372112871 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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