CS-0532714
3-((4-Aminopyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methylthiazol-3-ium chloride hydrochloride Thiamine Impurity
Manufacturer: ChemScene
CAS Number: 49614-72-4
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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
C₁₁H₁₆Cl₂N₄OS
Molecular Weight
323.24
Synonyms
Thiamine nitrate EP Impurity B
SMILES
OCCC1=C(C)[N+](CC2=C(N)N=CN=C2)=CS1.[Cl-].Cl
Tpsa
75.91
Logp
-2.27488
H Acceptors
5
H Donors
2
Rotatable Bonds
4
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 49614-72-4 | 3-((4-Aminopyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methylthiazol-3-ium chloride hydrochloride | A2B Chem | ₹ 26,694.72 - ₹ 1,40,575.08 |
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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: C₁₁H₁₆Cl₂N₄OS
Molecular Weight: 323.24
Synonyms: Thiamine nitrate EP Impurity B
SMILES: OCCC1=C(C)[N+](CC2=C(N)N=CN=C2)=CS1.[Cl-].Cl
Tpsa: 75.91
Logp: -2.27488
H Acceptors: 5
H Donors: 2
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:
C₁₁H₁₆Cl₂N₄OS
Molecular Weight:
323.24
Synonyms:
Thiamine nitrate EP Impurity B
SMILES:
OCCC1=C(C)[N+](CC2=C(N)N=CN=C2)=CS1.[Cl-].Cl
Tpsa:
75.91
Logp:
-2.27488
H Acceptors:
5
H Donors:
2
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: C₂₃H₃₂N₂O₅
Molecular Weight: 416.51
Synonyms: (2S,3aS,6aS)-1-((2R)-2-(((1S)-1-(Ethoxycarbonyl)-3-phenylpropyl)amino)propanoyl)octahydrocyclopenta(b)pyrrole-2-carboxylic acid
SMILES: CCOC([C@H](CCC1=CC=CC=C1)N[C@H](C)C(N2[C@]3([H])[C@](CCC3)([H])C[C@H]2C(O)=O)=O)=O
Tpsa: 95.94
Logp: 2.3832
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₃H₃₂N₂O₅
Molecular Weight:
416.51
Synonyms:
(2S,3aS,6aS)-1-((2R)-2-(((1S)-1-(Ethoxycarbonyl)-3-phenylpropyl)amino)propanoyl)octahydrocyclopenta(b)pyrrole-2-carboxylic acid
SMILES:
CCOC([C@H](CCC1=CC=CC=C1)N[C@H](C)C(N2[C@]3([H])[C@](CCC3)([H])C[C@H]2C(O)=O)=O)=O
Tpsa:
95.94
Logp:
2.3832
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₂₀Cl₂N₄OS
Molecular Weight: 351.30
Synonyms: None
SMILES: OCCC1=C(C)[N+](CC2=CN=C(CC)N=C2N)=CS1.[Cl-].Cl
Tpsa: 75.91
Logp: -1.71248
H Acceptors: 5
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:
C₁₃H₂₀Cl₂N₄OS
Molecular Weight:
351.30
Synonyms:
None
SMILES:
OCCC1=C(C)[N+](CC2=CN=C(CC)N=C2N)=CS1.[Cl-].Cl
Tpsa:
75.91
Logp:
-1.71248
H Acceptors:
5
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: C₂₄H₃₁ClO₆
Molecular Weight: 450.95
Synonyms: [2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-Chloro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
SMILES: C[C@@]12[C@](C[C@H]([C@]2(O)C(COC(C)=O)=O)C)([H])[C@@]3([H])[C@@]([C@@]4(C(CC3)=CC(C=C4)=O)C)([C@H](C1)O)Cl
Tpsa: 100.9
Logp: 2.7358
H Acceptors: 6
H Donors: 2
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:
C₂₄H₃₁ClO₆
Molecular Weight:
450.95
Synonyms:
[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-Chloro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
SMILES:
C[C@@]12[C@](C[C@H]([C@]2(O)C(COC(C)=O)=O)C)([H])[C@@]3([H])[C@@]([C@@]4(C(CC3)=CC(C=C4)=O)C)([C@H](C1)O)Cl
Tpsa:
100.9
Logp:
2.7358
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
3