CS-1000829
Netarsudil Impurity 1
Manufacturer: ChemScene
CAS Number: 1253955-20-2
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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
C₃₃H₃₅N₃O₅
Molecular Weight
553.65
Synonyms
None
SMILES
[C@H](C(NC1=CC2=C(C=C1)C=NC=C2)=O)(CNC(OC(C)(C)C)=O)C3=CC=C(COC(=O)C4=C(C)C=C(C)C=C4)C=C3
Tpsa
106.62
Logp
6.45564
H Acceptors
6
H Donors
2
Rotatable Bonds
8
SAFETY INFORMATION
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: C₃₃H₃₅N₃O₅
Molecular Weight: 553.65
Synonyms: None
SMILES: [C@H](C(NC1=CC2=C(C=C1)C=NC=C2)=O)(CNC(OC(C)(C)C)=O)C3=CC=C(COC(=O)C4=C(C)C=C(C)C=C4)C=C3
Tpsa: 106.62
Logp: 6.45564
H Acceptors: 6
H Donors: 2
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:
C₃₃H₃₅N₃O₅
Molecular Weight:
553.65
Synonyms:
None
SMILES:
[C@H](C(NC1=CC2=C(C=C1)C=NC=C2)=O)(CNC(OC(C)(C)C)=O)C3=CC=C(COC(=O)C4=C(C)C=C(C)C=C4)C=C3
Tpsa:
106.62
Logp:
6.45564
H Acceptors:
6
H Donors:
2
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: C₂₈H₂₇N₃O₃
Molecular Weight: 453.53
Synonyms: None
SMILES: N(C([C@@H](CN)C1=CC=C(COC(=O)C2=C(C)C=C(C)C=C2)C=C1)=O)C3=CC4=C(C=C3)C=NC=C4
Tpsa: 94.31
Logp: 4.88964
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₈H₂₇N₃O₃
Molecular Weight:
453.53
Synonyms:
None
SMILES:
N(C([C@@H](CN)C1=CC=C(COC(=O)C2=C(C)C=C(C)C=C2)C=C1)=O)C3=CC4=C(C=C3)C=NC=C4
Tpsa:
94.31
Logp:
4.88964
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₃₁N₅O₃
Molecular Weight: 401.50
Synonyms: None
SMILES: O=C1OC(C(=O)NCCCCN2CCN(C3=NC=CC=N3)CC2)C4(C1)CCCC4
Tpsa: 87.66
Logp: 1.3709
H Acceptors: 7
H Donors: 1
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₃₁N₅O₃
Molecular Weight:
401.50
Synonyms:
None
SMILES:
O=C1OC(C(=O)NCCCCN2CCN(C3=NC=CC=N3)CC2)C4(C1)CCCC4
Tpsa:
87.66
Logp:
1.3709
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
7
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₂₇N₃O₃
Molecular Weight: 285.38
Synonyms: None
SMILES: N(C(OC(C)(C)C)=O)[C@H]1[C@@H](N)C[C@H](C(N(C)C)=O)CC1
Tpsa: 84.66
Logp: 1.0953
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 2
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₂₇N₃O₃
Molecular Weight:
285.38
Synonyms:
None
SMILES:
N(C(OC(C)(C)C)=O)[C@H]1[C@@H](N)C[C@H](C(N(C)C)=O)CC1
Tpsa:
84.66
Logp:
1.0953
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
2