Basic information
- CAS
6872-57-7- Standard SMILES
COc1cc2c[n+](C)c3c4cc5c(cc4ccc3c2cc1OC)OCO5- InChIKey
KKMPSGJPCCJYRV-UHFFFAOYSA-N- Molecular formula
- C21H18NO4+
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.12358306
Overview
Nitidine is a member of phenanthridines.
Names & identifiers
- Preferred name
- Nitidine
- IUPAC
- 2,3-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium
- English name
- NITIDINE
- Molecular formula
- C21H18NO4
- Molecular weight
- 348.37
Names & synonyms
Nitidine6872-57-7nitidine cation(1,3)Benzodioxolo(5,6-c)phenanthridinium, 2,3-dimethoxy-12-methyl-2,3-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-iumNSC 146397DTXSID60218846[1,3]Benzodioxolo[5,6-c]phenanthridinium, 2,3-dimethoxy-12-methyl-933301178Z2,3-dimethoxy-12-methyl-(1,3)benzodioxolo(5,6-c)phenanthridin-12-iumRefChem:166027DTXCID10141337
Show more names
Nididine8,9-Dimethoxy-2,3-methylenedioxy-5-methylbenzo[c]phenanthridin-5-ium2,3-(Epoxymethanoxy)-5-methyl-8,9-dimethoxybenzo[c]phenanthridine-5-ium
NITIDINNCIMech_000542Neuro_000081CHEBI:7578[1,3]Dioxolo[4',5':4,5]benzo[1,2-c]phenanthridinium,2,3-dimethoxy-12-methyl-AC1L1IB4oxynitdineUNII-933301178Z
Database identifiers
- CAS
6872-57-7- PubChem CID
- 4501
- DTXSID
DTXSID60218846- ChEMBL
CHEMBL176008- ChEBI
CHEBI:7578- UNII
- 933301178Z
- Nikkaji
- J277.196I
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 40.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 1
- Complexity
- 516
Physicochemical properties
- Melting point
- 281 · 281-283℃
- InChI
- InChI=1S/C21H18NO4/c1-22-10-13-7-17(23-2)18(24-3)8-15(13)14-5-4-12-6-19-20(26-11-25-19)9-16(12)21(14)22/h4-10H,11H2,1-3H3/q+1
- InChIKey
- KKMPSGJPCCJYRV-UHFFFAOYSA-N
- SMILES
- C[N+]1=CC2=CC(=C(C=C2C2=CC=C3C=C4OCOC4=CC3=C21)OC)OC
- FDA UNII
- 933301178 Z · 933301178Z
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers16 total
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
成都川研医工生物科技有限公司18280298385;18280298385 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
四川精萃天成药物科技有限公司028-87865381 18108190480 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
四川恒诚致远生物科技有限公司18113192475 18113192475 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海同田生物技术有限公司021-51320588 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海佰世凯生物科技有限公司021-20908456 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
武汉科斯坦生物科技有限公司027-65317797 15926423062 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Additional notes
DefinitionChEBI: Nitidine is a member of phenanthridines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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