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Bivalirudin
Bivalirudin / CAS : 128270-60-0
| Appearance | white to off-white. powder | UN | 0.0 |
| HS | 2942000000 | DG Class | 0.0 |
| Synonyms | Bivalirudin Trifluoroacetate; Bivalirudina; Hirulog-1; Hirulog; Angiomax; Bivalirudin, Tfa; Bittermelonp.E; Human Bivalirudin; Bivalirudin Acetate | ||
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RFQ
Properties
Summary
Formula
C98H138N24O33
Molecular Mass
2180.29000
Exact Mass
2178.99000
PSA
901.57000
Logp
0.54320
IUPAC
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[2-[[2-[[2-[[2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-4-oxobutanoyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoic acid
SMILES
CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]5CCCN5C(=O)[C@@H](CC6=CC=CC=C6)N
Attribute classification
Matter Classification
organic
Category
API & Intermediate > Blood System Drugs
Chemical and Physical Properties
Density
1.52 g/cm3
Appearance
white to off-white. powder
Export information
HS Code
2942000000
Export Rebate
13%
UN No.
0.0
DG-Class
0.0
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