Basic information
- CAS
3459-96-9- Standard SMILES
N=C(N)c1cccc(NC(=O)Nc2cccc(C(=N)N)c2)c1- InChIKey
KRUVSRGJKCHYMY-UHFFFAOYSA-N- Molecular formula
- C15H16N6O
- Average molar mass
- 296.33 g/mol
- Monoisotopic mass
- 296.13855916
Overview
Amicarbalide is a small molecule drug. Amicarbalide has a monoisotopic molecular weight of 296.14 Da.
Names & identifiers
- Preferred name
- Amicarbalide
- IUPAC
- 1,3-bis(3-carbamimidoylphenyl)urea
- English name
- amicarbalide
- Molecular formula
- C15H16N6O
- Molecular weight
- 296.332
Names & synonyms
Amicarbalide3459-96-93,3'-DiamidinocarbanilideAmicarbalidaAmicarbalidumM&B 5062 AD7CJB20DJOM&B-5062A FREE BASEM&B-5062-ADTXSID20188152RefChem:1076638DTXCID50110643
Show more names
3,3'-Ureylenebisbenzamidine3,3'-carbonylbis(azanediyl)dibenzimidamide3,3'-Carbonyldiiminobis(benzenecarboxamidine)3,3'-(Carbonyldiimino)bis(benzenecarbimidamide)Benzenecarboximidamide, 3,3'-(carbonyldiimino)bis-
222-402-71,3-bis(3-carbamimidoylphenyl)ureaAmicarbalide [INN:BAN]UNII-D7CJB20DJO3,3'-UreylendibenzamidinAmicarbalidum [INN-Latin]Amicarbalida [INN-Spanish]1,3-Bis(3-amidinophenyl)urea
Database identifiers
- CAS
3459-96-9- PubChem CID
- 72074
- DTXSID
DTXSID20188152- ChEMBL
CHEMBL177281- UNII
- D7CJB20DJO
- EC Number
- 222-402-7
- Nikkaji
- J9.547H
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 400
Physicochemical properties
- Density
- 1.4 · 1.40
- pka
- 13.69 · 13.69±0.70(Predicted)
- FDA UNII
- 7 CJB20DJO · D7CJB20DJO
Chemistry & industry
Applications
UsesAmicarbalide is an active compound.
Upstream & downstream products
Upstream raw materials
Suppliers18 total
杭州品高化工有限公司0571-87658025 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
海蔚化学86-21-51086038 · [email protected]
Hangzhou Cyanochem Co., Ltd.+86 17788583750 · [email protected]
上海博湖生物科技有限公司021-57763112 13585886131 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
重庆卡兰医药有限公司[email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +8619957148339 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
江苏新素新材料有限公司0512-66387919 15251950002 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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