CS-1001737
Fosaprepitant Impurity 31
Manufacturer: ChemScene
CAS Number: 158808-56-1
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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
C₁₃H₂₉NO₁₀
Molecular Weight
359.37
Synonyms
None
SMILES
[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)(CN(C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)C)O
Tpsa
205.54
Logp
-6.21
H Acceptors
11
H Donors
10
Rotatable Bonds
12
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: C₁₃H₂₉NO₁₀
Molecular Weight: 359.37
Synonyms: None
SMILES: [C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)(CN(C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)C)O
Tpsa: 205.54
Logp: -6.21
H Acceptors: 11
H Donors: 10
Rotatable Bonds: 12
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₂₉NO₁₀
Molecular Weight:
359.37
Synonyms:
None
SMILES:
[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)(CN(C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)C)O
Tpsa:
205.54
Logp:
-6.21
H Acceptors:
11
H Donors:
10
Rotatable Bonds:
12
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₆H₅₅Cl₂NO₁₆
Molecular Weight: 948.83
Synonyms: None
SMILES: O(C(C)=O)[C@]12[C@]3([C@H](OC(=O)C4=CC=CC=C4)[C@@]5(O)C(C)(C)C([C@@H](O)C(=O)[C@]3(C)[C@@H](OC(OCC(Cl)Cl)=O)C[C@]1(OC2)[H])=C(C)[C@@H](OC([C@@H]([C@@H](NC(OC(C)(C)C)=O)C6=CC=CC=C6)O)=O)C5)[H]
Tpsa: 239.75
Logp: 5.2242
H Acceptors: 16
H Donors: 4
Rotatable Bonds: 11
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₆H₅₅Cl₂NO₁₆
Molecular Weight:
948.83
Synonyms:
None
SMILES:
O(C(C)=O)[C@]12[C@]3([C@H](OC(=O)C4=CC=CC=C4)[C@@]5(O)C(C)(C)C([C@@H](O)C(=O)[C@]3(C)[C@@H](OC(OCC(Cl)Cl)=O)C[C@]1(OC2)[H])=C(C)[C@@H](OC([C@@H]([C@@H](NC(OC(C)(C)C)=O)C6=CC=CC=C6)O)=O)C5)[H]
Tpsa:
239.75
Logp:
5.2242
H Acceptors:
16
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: C₂₉H₂₈F₂N₆O₆S
Molecular Weight: 626.63
Synonyms: None
SMILES: O=C(OCC)N(C=1SC(C=2C=CC(=CC2)N(=O)=O)=C(C1C(=O)NC3=NN=C(OC)C=C3)CN(C)C)CC=4C(F)=CC=CC4F
Tpsa: 140.03
Logp: 5.8771
H Acceptors: 10
H Donors: 1
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:
C₂₉H₂₈F₂N₆O₆S
Molecular Weight:
626.63
Synonyms:
None
SMILES:
O=C(OCC)N(C=1SC(C=2C=CC(=CC2)N(=O)=O)=C(C1C(=O)NC3=NN=C(OC)C=C3)CN(C)C)CC=4C(F)=CC=CC4F
Tpsa:
140.03
Logp:
5.8771
H Acceptors:
10
H Donors:
1
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: C₇H₁₈N₂
Molecular Weight: 130.23
Synonyms: None
SMILES: NCC(CN)CC(C)C
Tpsa: 52.04
Logp: 0.5661
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₁₈N₂
Molecular Weight:
130.23
Synonyms:
None
SMILES:
NCC(CN)CC(C)C
Tpsa:
52.04
Logp:
0.5661
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
4