Account BB-Cl-Yne
- Catalog No. :
- ACOLQX200
- CAS No. :
- 2219324-71-5
- Molecular Formula :
- C28H26ClN5O
- Molecular Weight :
- 484.00
IUPAC Name:(S)-N-(4-((1-amino-2-chloroethylidene)amino)-1-(1H-benzo[d]imidazol-2-yl)butyl)-4'-ethynyl-[1,1'-biphenyl]-4-carboxamide
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Product Information
| Product Name | BB-Cl-Yne |
|---|---|
| IUPAC Name | (S)-N-(4-((1-amino-2-chloroethylidene)amino)-1-(1H-benzo[d]imidazol-2-yl)butyl)-4'-ethynyl-[1,1'-biphenyl]-4-carboxamide |
| Molecular Formula | C28H26ClN5O |
| Molecular Weight | 484.00 |
| SMILES | O=C(C1=CC=C(C2=CC=C(C#C)C=C2)C=C1)N[C@H](C3=NC4=CC=CC=C4N3)CCCNC(CCl)=N |
| InChI Key | RBCGEWKNPOWJEI-VWLOTQADSA-N |
| Synonym | BB-Cl-Yne;BBClYne,BB Cl Yne;[1,1'-Biphenyl]-4-carboxamide, N-[(1S)-1-(1H-benzimidazol-2-yl)-4-[(2-chloro-1-iminoethyl)amino]butyl]-4'-ethynyl- |
| CAS No. | 2219324-71-5 |
Synthetic Route by SureRoute
2. ACOLQX200 Molecular Building Block Synthetic Route
(S)-N-(1-(1H-Benzo[d]imidazol-2-yl)-4-(2-chloroacetimidamido)butyl)-[1,1'-biphenyl]-4-carboxamide
(S)-N-(1-(1H-Benzo[d]imidazol-2-yl)-4-(2-chloroacetimidamido)butyl)-[1,1'-biphenyl]-4-carboxamide hydrochloride
N-(1-(1H-Benzo[d]imidazol-2-yl)-4-(2-chloroacetimidamido)butyl)-[1,1'-biphenyl]-4-carboxamide