Primary Record
Icatibant acetate
- In stock
- 6,312 g
- Purity
- 98.3 %
- CAS
- 138614-30-9
Compound Identifiers & Properties
- CAS
- 138614-30-9
- PubChem CID
- 20056986
- SMILES
- CC(=O)O.C1CC[C@H]2[C@@H](C1)CC(N2C(=O)[C@H]3CC4=CC=CC=C4CN3C(=O)[C@H](CO)NC(=O)[C@H](CC5=CC=CS5)NC(=O)CNC(=O)[C@@H]6C[C@H](CN6C(=O)[C@@H]7CCCN7C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)N)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O
- Canonical SMILES
- CC(=O)O.NC(N)=NCCC[C@@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C(C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)C[C@@H]2CCCC[C@@H]21
Names & Synonyms
- Icatibant acetate
- HOE 140 Acetate
- Icatibant acetate [USAN]
- SCHEMBL636083
- UNII-325O8467XK
- C59H89N19O13S.xC2H4O2
- C59-H89-N19-O13-S.x-C2-H4-O2
- 138614-30-9
- (R)-Arginyl-(S)-arginyl-(S)-prolyl-(2S,4R)-(4-hydroxyprolyl)glycyl-(S)-(3-(2-thienyl)alanyl)-(S)-seryl-(R)-((1,2,3,4-tetrahydro-3-isoquinolyl)carbonyl)-(2S,3aS,7aS)-((hexahydro-2-indolinyl)carbonyl)-(S)-arginine acetate (salt)