Account Batebulast
- Catalog No. :
- ACPREB121
- CAS No. :
- 81907-78-0
- Molecular Formula :
- C19H29N3O2
- Molecular Weight :
- 331.46
IUPAC Name:4-(tert-butyl)phenyl (1r,4r)-4-(guanidinomethyl)cyclohexane-1-carboxylate
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Product Information
| Product Name | Batebulast |
|---|---|
| IUPAC Name | 4-(tert-butyl)phenyl (1r,4r)-4-(guanidinomethyl)cyclohexane-1-carboxylate |
| Molecular Formula | C19H29N3O2 |
| Molecular Weight | 331.46 |
| SMILES | CC(C)(C)C1=CC=C(OC(=O)[C@H]2CC[C@H](CNC(=N)N)CC2)C=C1 |
| InChI Key | HXLJIJAWKVNQNT-HDJSIYSDSA-N |
| Synonym | (1α,4β)-4-(Guanidinomethyl)cyclohexanecarboxylic acid 4-tert-butylphenyl ester;(1α,4β)-4-[(Amidinoamino)methyl]cyclohexanecarboxylic acid 4-(1,1-dimethylethyl)phenyl ester;(1α,4β)-4-[[(Aminoiminomethyl)amino]methyl]cyclohexanecarboxylic acid 4-(1,1-dimethylethyl)phenyl ester;4α-(Guanidinomethyl)-1β-cyclohexanecarboxylic acid p-tert-butylphenyl ester;4α-(Guanidinomethyl)cyclohexane-1β-carboxylic acid p-tert-butylphenyl ester |
| CAS No. | 81907-78-0 |
Synthetic Route by SureRoute
2. ACPREB121 Molecular Building Block Synthetic Route
rel-3-(4-(((1r,4r)-4-(Aminomethyl)cyclohexane-1-carbonyl)oxy)phenyl)propanoic acid hydrochloride
3-(4-((trans-4-(Aminomethyl)cyclohexane-1-carbonyl)oxy)phenyl)propanoic acid
Benzyl 4-(((1r,4r)-4-(guanidinomethyl)cyclohexanecarbonyl)oxy)benzoate