CS-0136746
Ibotenic acid monohydrate
Manufacturer: ChemScene
CAS Number: 60573-88-8
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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
C₅H₈N₂O₅
Molecular Weight
176.13
Synonyms
None
SMILES
O=C(O)C(N)C(ON1)=CC1=O.[H]O[H]
Tpsa
140.82
Logp
-1.7724
H Acceptors
4
H Donors
3
Rotatable Bonds
2
Related Products
SAFETY INFORMATION
Pictograms
Signal Word
Danger
UN Number
3462
Class
6.1
Packing Group
Ⅲ
Hazard Statements
Precautionary Statements
P260-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-P363-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: C₅H₈N₂O₅
Molecular Weight: 176.13
Synonyms: None
SMILES: O=C(O)C(N)C(ON1)=CC1=O.[H]O[H]
Tpsa: 140.82
Logp: -1.7724
H Acceptors: 4
H Donors: 3
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅H₈N₂O₅
Molecular Weight:
176.13
Synonyms:
None
SMILES:
O=C(O)C(N)C(ON1)=CC1=O.[H]O[H]
Tpsa:
140.82
Logp:
-1.7724
H Acceptors:
4
H Donors:
3
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₄O₅
Molecular Weight: 214.22
Synonyms: None
SMILES: OC([C@@]([C@@]1(C)C(O)=O)([C@@H]2O[C@H]1CC2)C)=O
Tpsa: 83.83
Logp: 0.7294
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₄O₅
Molecular Weight:
214.22
Synonyms:
None
SMILES:
OC([C@@]([C@@]1(C)C(O)=O)([C@@H]2O[C@H]1CC2)C)=O
Tpsa:
83.83
Logp:
0.7294
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₁H₃₅N₇O₃
Molecular Weight: 553.65
Synonyms: Osimertinib Impurity N
SMILES: CN1C=C(C2=NC(N(C(C=C3NC(C=C)=O)=C(C=C3N(C)CCN(C)C)OC)C(C=C)=O)=NC=C2)C4=CC=CC=C41
Tpsa: 95.83
Logp: 4.6169
H Acceptors: 8
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:
C₃₁H₃₅N₇O₃
Molecular Weight:
553.65
Synonyms:
Osimertinib Impurity N
SMILES:
CN1C=C(C2=NC(N(C(C=C3NC(C=C)=O)=C(C=C3N(C)CCN(C)C)OC)C(C=C)=O)=NC=C2)C4=CC=CC=C41
Tpsa:
95.83
Logp:
4.6169
H Acceptors:
8
H Donors:
1
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: C₁₃H₂₃NO₄
Molecular Weight: 257.33
Synonyms: None
SMILES: O=C([C@@H]1C[C@H](NC(OC(C)(C)C)=O)CCC1)OC
Tpsa: 64.63
Logp: 2.2429
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 2
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₂₃NO₄
Molecular Weight:
257.33
Synonyms:
None
SMILES:
O=C([C@@H]1C[C@H](NC(OC(C)(C)C)=O)CCC1)OC
Tpsa:
64.63
Logp:
2.2429
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
2