CS-0532800
7-Chloro-2-methyl-4-oxo-3-(m-tolyl)-1,2,3,4-tetrahydroquinazoline-6-sulfonamide （Metolazone Impurity）
Manufacturer: ChemScene
CAS Number: 50869-25-5
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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
C₁₆H₁₆ClN₃O₃S
Molecular Weight
365.83
Synonyms
m-Metolazone
SMILES
O=C1C2=CC(S(=O)(N)=O)=C(C=C2NC(C)N1C3=CC=CC(C)=C3)Cl
Tpsa
92.5
Logp
2.71412
H Acceptors
4
H Donors
2
Rotatable Bonds
2
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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: C₁₆H₁₆ClN₃O₃S
Molecular Weight: 365.83
Synonyms: m-Metolazone
SMILES: O=C1C2=CC(S(=O)(N)=O)=C(C=C2NC(C)N1C3=CC=CC(C)=C3)Cl
Tpsa: 92.5
Logp: 2.71412
H Acceptors: 4
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:
C₁₆H₁₆ClN₃O₃S
Molecular Weight:
365.83
Synonyms:
m-Metolazone
SMILES:
O=C1C2=CC(S(=O)(N)=O)=C(C=C2NC(C)N1C3=CC=CC(C)=C3)Cl
Tpsa:
92.5
Logp:
2.71412
H Acceptors:
4
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: C₁₈H₂₂N₂O
Molecular Weight: 282.38
Synonyms: [2-(4-Methyl-2-phenylpiperazin-1-yl)phenyl]methanol
SMILES: OCC1=C(N2CCN(CC2C3=CC=CC=C3)C)C=CC=C1
Tpsa: 26.71
Logp: 2.672
H Acceptors: 3
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:
C₁₈H₂₂N₂O
Molecular Weight:
282.38
Synonyms:
[2-(4-Methyl-2-phenylpiperazin-1-yl)phenyl]methanol
SMILES:
OCC1=C(N2CCN(CC2C3=CC=CC=C3)C)C=CC=C1
Tpsa:
26.71
Logp:
2.672
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3
Purity: 98%
MDL No: MFCD09835124
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₈H₃₄N₂O₃
Molecular Weight: 446.58
Synonyms: N-[(1S,2S,4S)-4-amino-2-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]-2-(2,6-dimethylphenoxy)acetamide
SMILES: CC(C=CC=C1C)=C1OCC(N[C@H]([C@@H](O)C[C@@H](N)CC2=CC=CC=C2)CC3=CC=CC=C3)=O
Tpsa: 84.58
Logp: 3.73074
H Acceptors: 4
H Donors: 3
Rotatable Bonds: 11
Purity:
98%
MDL No:
MFCD09835124
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₈H₃₄N₂O₃
Molecular Weight:
446.58
Synonyms:
N-[(1S,2S,4S)-4-amino-2-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]-2-(2,6-dimethylphenoxy)acetamide
SMILES:
CC(C=CC=C1C)=C1OCC(N[C@H]([C@@H](O)C[C@@H](N)CC2=CC=CC=C2)CC3=CC=CC=C3)=O
Tpsa:
84.58
Logp:
3.73074
H Acceptors:
4
H Donors:
3
Rotatable Bonds:
11
Purity: 98%
MDL No: None
Storage: 4°C, protect from light, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₂H₄₉BrN₂O₄
Molecular Weight: 605.65
Synonyms: 1,2-Dehydro-3-oxo Rocuronium Bromide
SMILES: C=CC[N+]1([C@]2([H])[C@@H]([C@@]3([C@@]([C@@]4([H])[C@]([C@@]5([C@@](CC(C(N6CCOCC6)=C5)=O)([H])CC4)C)([H])CC3)([H])C2)C)OC(C)=O)CCCC1.[Br-]
Tpsa: 55.84
Logp: 1.7449
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₂H₄₉BrN₂O₄
Molecular Weight:
605.65
Synonyms:
1,2-Dehydro-3-oxo Rocuronium Bromide
SMILES:
C=CC[N+]1([C@]2([H])[C@@H]([C@@]3([C@@]([C@@]4([H])[C@]([C@@]5([C@@](CC(C(N6CCOCC6)=C5)=O)([H])CC4)C)([H])CC3)([H])C2)C)OC(C)=O)CCCC1.[Br-]
Tpsa:
55.84
Logp:
1.7449
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
5