CS-1001339
Daclatasvir Impurity 46
Manufacturer: ChemScene
CAS Number: 1417333-63-1
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₄₀H₅₀N₈O₆
Molecular Weight
738.88
Synonyms
None
SMILES
C([C@@H](NC(OC)=O)C(C)C)(=O)N1[C@H](CCC1)C=2NC(=CN2)C3=CC=C(C=C3)C4=CC=C(C=C4)C=5NC(=NC5)[C@H]6N(C([C@H](NC(OC)=O)[C@H](C)C)=O)CCC6
Tpsa
174.64
Logp
6.222
H Acceptors
8
H Donors
4
Rotatable Bonds
11
Related Products
SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₀H₅₀N₈O₆
Molecular Weight: 738.88
Synonyms: None
SMILES: C([C@@H](NC(OC)=O)C(C)C)(=O)N1[C@H](CCC1)C=2NC(=CN2)C3=CC=C(C=C3)C4=CC=C(C=C4)C=5NC(=NC5)[C@H]6N(C([C@H](NC(OC)=O)[C@H](C)C)=O)CCC6
Tpsa: 174.64
Logp: 6.222
H Acceptors: 8
H Donors: 4
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₀H₅₀N₈O₆
Molecular Weight:
738.88
Synonyms:
None
SMILES:
C([C@@H](NC(OC)=O)C(C)C)(=O)N1[C@H](CCC1)C=2NC(=CN2)C3=CC=C(C=C3)C4=CC=C(C=C4)C=5NC(=NC5)[C@H]6N(C([C@H](NC(OC)=O)[C@H](C)C)=O)CCC6
Tpsa:
174.64
Logp:
6.222
H Acceptors:
8
H Donors:
4
Rotatable Bonds:
11
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅₄H₄₂N₈O₁₀
Molecular Weight: 962.96
Synonyms: None
SMILES: O=C1OC(=C(O1)COC(=O)C2=CC=CC=3N=C(OCC)N(C32)CC=4C=CC(=CC4)C=5C=CC=CC5C6=NOC(=N6)C=7C=CC=C8N=C(OCC)N(C87)CC=9C=CC(=CC9)C=%10C=CC=CC%10C%11=NOC(=O)N%11)C
Tpsa: 221.56
Logp: 9.88592
H Acceptors: 17
H Donors: 1
Rotatable Bonds: 16
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₄H₄₂N₈O₁₀
Molecular Weight:
962.96
Synonyms:
None
SMILES:
O=C1OC(=C(O1)COC(=O)C2=CC=CC=3N=C(OCC)N(C32)CC=4C=CC(=CC4)C=5C=CC=CC5C6=NOC(=N6)C=7C=CC=C8N=C(OCC)N(C87)CC=9C=CC(=CC9)C=%10C=CC=CC%10C%11=NOC(=O)N%11)C
Tpsa:
221.56
Logp:
9.88592
H Acceptors:
17
H Donors:
1
Rotatable Bonds:
16
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₂₉N₃NaO₈S₆
Molecular Weight: 654.84
Synonyms: None
SMILES: N(CC)[C@@H]1C2=C(SC(S(NS(=O)(=O)C3=CC4=C(S3)S(=O)(=O)[C@@H](C)C[C@@H]4NCC)(=O)=O)=C2)S(=O)(=O)[C@@H](C)C1.[Na]
Tpsa: 172.65
Logp: 1.529
H Acceptors: 12
H Donors: 3
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₂₉N₃NaO₈S₆
Molecular Weight:
654.84
Synonyms:
None
SMILES:
N(CC)[C@@H]1C2=C(SC(S(NS(=O)(=O)C3=CC4=C(S3)S(=O)(=O)[C@@H](C)C[C@@H]4NCC)(=O)=O)=C2)S(=O)(=O)[C@@H](C)C1.[Na]
Tpsa:
172.65
Logp:
1.529
H Acceptors:
12
H Donors:
3
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₂₃N₅O₉
Molecular Weight: 477.42
Synonyms: None
SMILES: C(CC1=CC=C(C(N[C@H](CCC(O)=O)C(O)=O)=O)C=C1)C2(O)C3=C(NC2O)N(O)C(N)=NC3=O
Tpsa: 237.33
Logp: -1.3251
H Acceptors: 11
H Donors: 8
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₂₃N₅O₉
Molecular Weight:
477.42
Synonyms:
None
SMILES:
C(CC1=CC=C(C(N[C@H](CCC(O)=O)C(O)=O)=O)C=C1)C2(O)C3=C(NC2O)N(O)C(N)=NC3=O
Tpsa:
237.33
Logp:
-1.3251
H Acceptors:
11
H Donors:
8
Rotatable Bonds:
9