CS-1004623
Fosaprepitant Impurity 41
Manufacturer: ChemScene
CAS Number: 71231-87-3
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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
C₇H₁₅NO₅
Molecular Weight
193.20
Synonyms
None
SMILES
[C@H]([C@@H]([C@@H](CO)O)O)(C(CNC)=O)O
Tpsa
110.02
Logp
-3.1501
H Acceptors
6
H Donors
5
Rotatable Bonds
6
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: C₇H₁₅NO₅
Molecular Weight: 193.20
Synonyms: None
SMILES: [C@H]([C@@H]([C@@H](CO)O)O)(C(CNC)=O)O
Tpsa: 110.02
Logp: -3.1501
H Acceptors: 6
H Donors: 5
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₁₅NO₅
Molecular Weight:
193.20
Synonyms:
None
SMILES:
[C@H]([C@@H]([C@@H](CO)O)O)(C(CNC)=O)O
Tpsa:
110.02
Logp:
-3.1501
H Acceptors:
6
H Donors:
5
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₃H₄₆NO₉+
Molecular Weight: 600.72
Synonyms: None
SMILES: C([C@@H]1C=2C(=CC(OC)=C(OC)C2)CC[N@+]1(CCCOC(CC/C=C/CCC(O)=O)=O)C)C3=CC(OC)=C(OC)C(OC)=C3
Tpsa: 109.75
Logp: 5.1506
H Acceptors: 8
H Donors: 1
Rotatable Bonds: 17
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₃H₄₆NO₉+
Molecular Weight:
600.72
Synonyms:
None
SMILES:
C([C@@H]1C=2C(=CC(OC)=C(OC)C2)CC[N@+]1(CCCOC(CC/C=C/CCC(O)=O)=O)C)C3=CC(OC)=C(OC)C(OC)=C3
Tpsa:
109.75
Logp:
5.1506
H Acceptors:
8
H Donors:
1
Rotatable Bonds:
17
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₇NO₄
Molecular Weight: 227.26
Synonyms: None
SMILES: C(C(OC)=O)[C@H]1C[C@@H](CC#N)OC(C)(C)O1
Tpsa: 68.55
Logp: 1.37338
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₇NO₄
Molecular Weight:
227.26
Synonyms:
None
SMILES:
C(C(OC)=O)[C@H]1C[C@@H](CC#N)OC(C)(C)O1
Tpsa:
68.55
Logp:
1.37338
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₁₉ClN₂
Molecular Weight: 286.80
Synonyms: None
SMILES: ClC1=CC=C(C(=C1)N2CCNCC2)CC=3C=CC=CC3
Tpsa: 15.27
Logp: 3.3404
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₁₉ClN₂
Molecular Weight:
286.80
Synonyms:
None
SMILES:
ClC1=CC=C(C(=C1)N2CCNCC2)CC=3C=CC=CC3
Tpsa:
15.27
Logp:
3.3404
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
3