CS-1003882
Tolvaptan Impurity 29
Manufacturer: ChemScene
CAS Number: 4277-00-3
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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
C₈H₆N₂O₆
Molecular Weight
226.14
Synonyms
None
SMILES
O=C(O)C=1C(=CC(=CC1C)N(=O)=O)N(=O)=O
Tpsa
123.58
Logp
1.50962
H Acceptors
5
H Donors
1
Rotatable Bonds
3
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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: C₈H₆N₂O₆
Molecular Weight: 226.14
Synonyms: None
SMILES: O=C(O)C=1C(=CC(=CC1C)N(=O)=O)N(=O)=O
Tpsa: 123.58
Logp: 1.50962
H Acceptors: 5
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:
C₈H₆N₂O₆
Molecular Weight:
226.14
Synonyms:
None
SMILES:
O=C(O)C=1C(=CC(=CC1C)N(=O)=O)N(=O)=O
Tpsa:
123.58
Logp:
1.50962
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
3
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₁₉N₅O₆S
Molecular Weight: 421.43
Synonyms: None
SMILES: O(S(=O)(=O)C1=CC=C(C)C=C1)[C@H]2[C@@H](O[C@H](CO)[C@H]2O)N3C=4C(N=C3)=C(N)N=CN4
Tpsa: 162.68
Logp: -0.25838
H Acceptors: 11
H Donors: 3
Rotatable Bonds: 5
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₁₉N₅O₆S
Molecular Weight:
421.43
Synonyms:
None
SMILES:
O(S(=O)(=O)C1=CC=C(C)C=C1)[C@H]2[C@@H](O[C@H](CO)[C@H]2O)N3C=4C(N=C3)=C(N)N=CN4
Tpsa:
162.68
Logp:
-0.25838
H Acceptors:
11
H Donors:
3
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: C₇H₁₆N₂O₂
Molecular Weight: 160.21
Synonyms: None
SMILES: [C@@H](CCCCN)(C(OC)=O)N
Tpsa: 78.34
Logp: -0.3843
H Acceptors: 4
H Donors: 2
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:
C₇H₁₆N₂O₂
Molecular Weight:
160.21
Synonyms:
None
SMILES:
[C@@H](CCCCN)(C(OC)=O)N
Tpsa:
78.34
Logp:
-0.3843
H Acceptors:
4
H Donors:
2
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: C₁₉H₁₉Cl₂N₃O₆S
Molecular Weight: 488.34
Synonyms: None
SMILES: C(N[C@H](C(O)=O)[C@@]1(N[C@@H](C(O)=O)C(C)(C)S1)[H])(=O)C=2C(=NOC2C)C3=C(Cl)C=CC=C3Cl
Tpsa: 141.76
Logp: 3.03412
H Acceptors: 7
H Donors: 4
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:
C₁₉H₁₉Cl₂N₃O₆S
Molecular Weight:
488.34
Synonyms:
None
SMILES:
C(N[C@H](C(O)=O)[C@@]1(N[C@@H](C(O)=O)C(C)(C)S1)[H])(=O)C=2C(=NOC2C)C3=C(Cl)C=CC=C3Cl
Tpsa:
141.76
Logp:
3.03412
H Acceptors:
7
H Donors:
4
Rotatable Bonds:
6