CS-0083715
Paracetamol mercapturate
Manufacturer: ChemScene
CAS Number: 55748-93-1
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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
C₁₃H₁₆N₂O₄S
Molecular Weight
296.34
Synonyms
APAP mercapturate
SMILES
SC[C@H](NC(C)=O)C(OC1=CC=C(C=C1)NC(C)=O)=O
Tpsa
84.5
Logp
0.9849
H Acceptors
5
H Donors
3
Rotatable Bonds
5
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: C₁₃H₁₆N₂O₄S
Molecular Weight: 296.34
Synonyms: APAP mercapturate
SMILES: SC[C@H](NC(C)=O)C(OC1=CC=C(C=C1)NC(C)=O)=O
Tpsa: 84.5
Logp: 0.9849
H Acceptors: 5
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:
C₁₃H₁₆N₂O₄S
Molecular Weight:
296.34
Synonyms:
APAP mercapturate
SMILES:
SC[C@H](NC(C)=O)C(OC1=CC=C(C=C1)NC(C)=O)=O
Tpsa:
84.5
Logp:
0.9849
H Acceptors:
5
H Donors:
3
Rotatable Bonds:
5
Purity: 95%
MDL No: MFCD22577205
Storage: -20°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₁NO₅
Molecular Weight: 213.19
Synonyms: None
SMILES: N[C@H](C(O)=O)CC1=C(O)C=C(C(O)=C1)O
Tpsa: 124.01
Logp: -0.2422
H Acceptors: 5
H Donors: 5
Rotatable Bonds: 3
Purity:
95%
MDL No:
MFCD22577205
Storage:
-20°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₁NO₅
Molecular Weight:
213.19
Synonyms:
None
SMILES:
N[C@H](C(O)=O)CC1=C(O)C=C(C(O)=C1)O
Tpsa:
124.01
Logp:
-0.2422
H Acceptors:
5
H Donors:
5
Rotatable Bonds:
3
Purity: 98%
MDL No: MFCD00214328
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₃₄O₂
Molecular Weight: 270.45
Synonyms: None
SMILES: CC(CCCCCCCCCCCCC(O)=O)CC
Tpsa: 37.3
Logp: 5.7983
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 14
Purity:
98%
MDL No:
MFCD00214328
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₃₄O₂
Molecular Weight:
270.45
Synonyms:
None
SMILES:
CC(CCCCCCCCCCCCC(O)=O)CC
Tpsa:
37.3
Logp:
5.7983
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
14
Purity: 98%
MDL No: MFCD00083664
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₃₀O₂
Molecular Weight: 242.40
Synonyms: None
SMILES: CCC(CCCCCCCCCCC(O)=O)C
Tpsa: 37.3
Logp: 5.0181
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 12
Purity:
98%
MDL No:
MFCD00083664
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₃₀O₂
Molecular Weight:
242.40
Synonyms:
None
SMILES:
CCC(CCCCCCCCCCC(O)=O)C
Tpsa:
37.3
Logp:
5.0181
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
12