CS-1000707
Fosaprepitant Impurity 9(Tribenzyl Pyrophosphate)
Manufacturer: ChemScene
CAS Number: 121234-18-2
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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
C₂₁H₂₂O₇P₂
Molecular Weight
448.34
Synonyms
None
SMILES
O=P(O)(OCC=1C=CC=CC1)OP(=O)(OCC=2C=CC=CC2)OCC=3C=CC=CC3
Tpsa
91.29
Logp
5.8619
H Acceptors
6
H Donors
1
Rotatable Bonds
11
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: C₂₁H₂₂O₇P₂
Molecular Weight: 448.34
Synonyms: None
SMILES: O=P(O)(OCC=1C=CC=CC1)OP(=O)(OCC=2C=CC=CC2)OCC=3C=CC=CC3
Tpsa: 91.29
Logp: 5.8619
H Acceptors: 6
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:
C₂₁H₂₂O₇P₂
Molecular Weight:
448.34
Synonyms:
None
SMILES:
O=P(O)(OCC=1C=CC=CC1)OP(=O)(OCC=2C=CC=CC2)OCC=3C=CC=CC3
Tpsa:
91.29
Logp:
5.8619
H Acceptors:
6
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: C₁₁H₁₃NO₄
Molecular Weight: 223.23
Synonyms: None
SMILES: O=C(C(=NO)C)C1=CC(OC)=CC=C1OC
Tpsa: 68.12
Logp: 1.7366
H Acceptors: 5
H Donors: 1
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:
C₁₁H₁₃NO₄
Molecular Weight:
223.23
Synonyms:
None
SMILES:
O=C(C(=NO)C)C1=CC(OC)=CC=C1OC
Tpsa:
68.12
Logp:
1.7366
H Acceptors:
5
H Donors:
1
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: C₁₈H₁₉N₃O₅S
Molecular Weight: 389.43
Synonyms: None
SMILES: C(O)(=O)C=1N2[C@@]([C@H](NC([C@H](N)C3=CC=C(O)C=C3)=O)C2=O)(SCC1/C=C\C)[H]
Tpsa: 132.96
Logp: 0.7067
H Acceptors: 6
H Donors: 4
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₁₉N₃O₅S
Molecular Weight:
389.43
Synonyms:
None
SMILES:
C(O)(=O)C=1N2[C@@]([C@H](NC([C@H](N)C3=CC=C(O)C=C3)=O)C2=O)(SCC1/C=C\C)[H]
Tpsa:
132.96
Logp:
0.7067
H Acceptors:
6
H Donors:
4
Rotatable Bonds:
5
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₈O₆
Molecular Weight: 248.19
Synonyms: None
SMILES: OC=1C=C(O)C=2OC=3C=C(O)C=C(O)C3OC2C1
Tpsa: 99.38
Logp: 2.407
H Acceptors: 6
H Donors: 4
Rotatable Bonds: 0
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₈O₆
Molecular Weight:
248.19
Synonyms:
None
SMILES:
OC=1C=C(O)C=2OC=3C=C(O)C=C(O)C3OC2C1
Tpsa:
99.38
Logp:
2.407
H Acceptors:
6
H Donors:
4
Rotatable Bonds:
0