10Z-Hymenialdisine

Basic Information

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CAS Number

82005-12-7

Molecular Formula

C11H10BrN5O2

Molecular Weight

324.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Density

2.20±0.1 g/cm3 (20 ºC 760 Torr),

SMILES

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C1CNC(=O)C2=C(C1=C3C(=O)NC(=N3)N)C=C(N2)Br

InChI

InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3,15H,1-2H2,(H,14,18)(H3,13,16,17,19)/b7-4-

InChIKey

ATBAETXFFCOZOY-DAXSKMNVSA-N

LogP

0.06630000000000041

Topological Polar Surface Area

112.37 Å²

Hydrogen Bond Donor/Acceptor

5 / 7

Complexity

515

Synonyms & References

English

SCHEMBL15426167
Hymenialdisine
BDBM50259155
SK&F-108752
4-[2-Amino-5-oxo-3,5-dihydro-imidazol-(4Z)-ylidene]-2-bromo-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]azepin-8-one
HY-N6794
(4Z)-4-(2-Amino-1,5-dihydro-5-oxo-4H-imidazol-4-ylidene)-2-bromo-4,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8(1H)-one
SCHEMBL24393900
CS-0028972
(Z)-4-(2-amino-4-oxo-1H-imidazol-5(4H)-ylidene)-2-bromo-4,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8(1H)-one
K00223
AKOS024456651
5WMS4GA67M
(4Z)-4-(2-amino-5-oxo-1H-imidazol-4-ylidene)-2-bromo-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one
(4Z)-4-(2-AMINO-1,5-DIHYDRO-5-OXO-4H-IMIDAZOL-4-YLIDENE)-2-BROMO-4,5,6,7-TETRAHYDROPYRROLO(2,3-C)AZEPIN-8(1H)-ONE
BDBM7491
HB1264
Pyrrolo[2, 4-(2-amino-1,5-dihydro- 5-oxo-4H-imidazol-4-ylidene)-2-bromo-4,5,6,7-tetrahydro-, (Z)-
4-(2-Amino-4-oxo-2-imidazolidin-5-ylidene)-2-bromo-4,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one
10Z-Hymenialdisine
CHEMBL361708
Z-HYMENIALDISINE
NSC607173
(4Z)-4-(2-Amino-1,5-dihydro-5-oxo-4 H-imidazol-4-ylidene)-2-bromo-4,5,6,7-tetrahydropy rrolo[2,3-c]azepin-8(1H)-one
Pyrrolo(2,3-c)azepin-8(1H)-one, 4-(2-amino-1,5-dihydro-5-oxo-4H-imidazol-4-ylidene)-2-bromo-4,5,6,7-tetrahydro-, (4Z)-
4-(2-amino-4-oxo-1H-imidazol-5(4H)-ylidene)-2-bromo-4,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8(1H)-one
4-(2-Amino-5-oxo-3,5-dihydro-imidazol-4-ylidene)-2-bromo-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]azepin-8-one
NSC-607173
NSC626158
(4Z)-4-(2-amino-4-oxo-1H-imidazol-5-ylidene)-2-bromo-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one
82005-12-7

MDL Number

MFCD04037007

FAQ

What regulatory guidelines apply to 10Z-Hymenialdisine (CAS: 82005-12-7)?

10Z-Hymenialdisine (CAS: 82005-12-7) falls under the regulatory framework of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for hazardous chemicals. In the European Union, it is covered by REACH regulations. For those using it in the United States, FDA and EPA guidelines apply. Specific safety data sheets (SDS) are required for handling and storage, and users must comply with local and national regulations.

Are there alternatives to 10Z-Hymenialdisine (CAS: 820005-12-7) in synthesis?

There are no direct alternatives to 10Z-Hymenialdisine (CAS: 82005-12-7) in terms of its specific chemical structure. However, similar compounds such as 10E-Hymenialdisine can be used as structural analogs. Common alternative reagents and solvents like acetonitrile or chloroform can be used in synthetic alternatives to achieve similar outcomes.

What is the market or research trend for 10Z-Hymenialdisine (CAS: 82005-12-7)?

The market for 10Z-Hymenialdisine (CAS: 82005-12-7) is growing due to its potential as an anti-cancer agent. Research trends focus on its biological activity and mechanisms of action. As the compound gains more attention in the scientific community, there is an increasing demand for its synthesis and distribution. Price trends are influenced by research interests and production capacity.

How should waste containing 10Z-Hymenialdisine (CAS: 82005-12-7) be handled?

Waste containing 10Z-Hymenialdisine (CAS: 82005-12-7) should be collected in appropriate containers and stored in a secure, well-ventilated area. Incineration under controlled conditions is a common disposal method. Alternatively, professional waste disposal services can be utilized. Environmental precautions include ensuring no spills occur and that disposal is in accordance with local regulations to prevent contamination of soil and water sources.