CS-0532716
3-((4-Amino-2-ethylpyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methylthiazol-3-ium chloride hydrochloride Thiamine Impurity
Manufacturer: ChemScene
CAS Number: 4102-72-1
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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
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
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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: 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
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₄H₂₇FN₄O₄
Molecular Weight: 454.49
Synonyms: 2-(2-Methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido(1,2-a)pyrimidin-3-yl)ethyl 4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidin-1-carboxylate
SMILES: O=C(N1CCC(CC1)C2=NOC3=C2C=CC(F)=C3)OCCC4=C(C)N=C(CCCC5)N5C4=O
Tpsa: 90.46
Logp: 3.72702
H Acceptors: 7
H Donors: 0
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:
C₂₄H₂₇FN₄O₄
Molecular Weight:
454.49
Synonyms:
2-(2-Methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido(1,2-a)pyrimidin-3-yl)ethyl 4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidin-1-carboxylate
SMILES:
O=C(N1CCC(CC1)C2=NOC3=C2C=CC(F)=C3)OCCC4=C(C)N=C(CCCC5)N5C4=O
Tpsa:
90.46
Logp:
3.72702
H Acceptors:
7
H Donors:
0
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: ent-Ramipril
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:
ent-Ramipril
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