CS-1003197
Isoniazid Impurity 13
Manufacturer: ChemScene
CAS Number: 25197-87-9
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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
C₁₈H₂₇N₃O₁₁
Molecular Weight
461.42
Synonyms
None
SMILES
O([C@@H]([C@@H]([C@H](C=NNC(=O)C=1C=CN=CC1)O)O)[C@@H](CO)O)[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O
Tpsa
234.65
Logp
-4.9427
H Acceptors
13
H Donors
9
Rotatable Bonds
10
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: C₁₈H₂₇N₃O₁₁
Molecular Weight: 461.42
Synonyms: None
SMILES: O([C@@H]([C@@H]([C@H](C=NNC(=O)C=1C=CN=CC1)O)O)[C@@H](CO)O)[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O
Tpsa: 234.65
Logp: -4.9427
H Acceptors: 13
H Donors: 9
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₂₇N₃O₁₁
Molecular Weight:
461.42
Synonyms:
None
SMILES:
O([C@@H]([C@@H]([C@H](C=NNC(=O)C=1C=CN=CC1)O)O)[C@@H](CO)O)[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O
Tpsa:
234.65
Logp:
-4.9427
H Acceptors:
13
H Donors:
9
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₁₂BrF₂N₃O₄S
Molecular Weight: 484.27
Synonyms: None
SMILES: O=C(OC=1C=CC=CC1)NC=2SN=C(OCC=3C(F)=CC(Br)=CC3F)C2C(=O)N
Tpsa: 103.54
Logp: 4.4726
H Acceptors: 6
H Donors: 2
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:
C₁₈H₁₂BrF₂N₃O₄S
Molecular Weight:
484.27
Synonyms:
None
SMILES:
O=C(OC=1C=CC=CC1)NC=2SN=C(OCC=3C(F)=CC(Br)=CC3F)C2C(=O)N
Tpsa:
103.54
Logp:
4.4726
H Acceptors:
6
H Donors:
2
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: C₁₄H₉Cl₂N₃S₂
Molecular Weight: 354.28
Synonyms: None
SMILES: ClC1=C(C=CC(Cl)=C1)[C@@H]2S\C(=C(\C#N)/N3C=CN=C3)\SC2
Tpsa: 41.61
Logp: 5.06088
H Acceptors: 5
H Donors: 0
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:
C₁₄H₉Cl₂N₃S₂
Molecular Weight:
354.28
Synonyms:
None
SMILES:
ClC1=C(C=CC(Cl)=C1)[C@@H]2S\C(=C(\C#N)/N3C=CN=C3)\SC2
Tpsa:
41.61
Logp:
5.06088
H Acceptors:
5
H Donors:
0
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: C₂₈H₂₈N₂O
Molecular Weight: 408.53
Synonyms: None
SMILES: C(C#N)([C@H]1CN(CCC=2C=C3C(=CC2)OCC3)CC1)(C4=CC=CC=C4)C5=CC=CC=C5
Tpsa: 36.26
Logp: 4.99578
H Acceptors: 3
H Donors: 0
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:
C₂₈H₂₈N₂O
Molecular Weight:
408.53
Synonyms:
None
SMILES:
C(C#N)([C@H]1CN(CCC=2C=C3C(=CC2)OCC3)CC1)(C4=CC=CC=C4)C5=CC=CC=C5
Tpsa:
36.26
Logp:
4.99578
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
6