CS-1000701
Ketorolac Impurity 77
Manufacturer: ChemScene
CAS Number: 121034-76-2
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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
C₁₁H₈ClNO
Molecular Weight
205.64
Synonyms
None
SMILES
O=C(C=1C=CC=CC1)C2=CNC(Cl)=C2
Tpsa
32.86
Logp
2.8991
H Acceptors
1
H Donors
1
Rotatable Bonds
2
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: C₁₁H₈ClNO
Molecular Weight: 205.64
Synonyms: None
SMILES: O=C(C=1C=CC=CC1)C2=CNC(Cl)=C2
Tpsa: 32.86
Logp: 2.8991
H Acceptors: 1
H Donors: 1
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:
C₁₁H₈ClNO
Molecular Weight:
205.64
Synonyms:
None
SMILES:
O=C(C=1C=CC=CC1)C2=CNC(Cl)=C2
Tpsa:
32.86
Logp:
2.8991
H Acceptors:
1
H Donors:
1
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: C₆H₈N₅O₃P
Molecular Weight: 229.13
Synonyms: None
SMILES: O=P(O)(O)CN1C=NC=2C(=NC=NC21)N
Tpsa: 127.15
Logp: -0.4563
H Acceptors: 6
H Donors: 3
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:
C₆H₈N₅O₃P
Molecular Weight:
229.13
Synonyms:
None
SMILES:
O=P(O)(O)CN1C=NC=2C(=NC=NC21)N
Tpsa:
127.15
Logp:
-0.4563
H Acceptors:
6
H Donors:
3
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: C₄₉H₆₆N₁₀O₁₀S₂
Molecular Weight: 1019.24
Synonyms: None
SMILES: C(C=1C=2C(NC1)=CC=CC2)[C@H]3NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@@H](NC([C@@H](CC5=CC=CC=C5)N)=O)CSSC[C@H](C(N[C@@H]([C@@H](C)O)CO)=O)NC(=O)[C@]([C@@H](C)O)(NC(=O)[C@H](CCCCN)NC3=O)[H]
Tpsa: 332.22
Logp: -0.8054
H Acceptors: 14
H Donors: 13
Rotatable Bonds: 17
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₉H₆₆N₁₀O₁₀S₂
Molecular Weight:
1019.24
Synonyms:
None
SMILES:
C(C=1C=2C(NC1)=CC=CC2)[C@H]3NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@@H](NC([C@@H](CC5=CC=CC=C5)N)=O)CSSC[C@H](C(N[C@@H]([C@@H](C)O)CO)=O)NC(=O)[C@]([C@@H](C)O)(NC(=O)[C@H](CCCCN)NC3=O)[H]
Tpsa:
332.22
Logp:
-0.8054
H Acceptors:
14
H Donors:
13
Rotatable Bonds:
17
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₂N₄O₂
Molecular Weight: 208.22
Synonyms: None
SMILES: O=N(=O)C1=CN=CC(=C1)N2CCNCC2
Tpsa: 71.3
Logp: 0.3994
H Acceptors: 5
H Donors: 1
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:
C₉H₁₂N₄O₂
Molecular Weight:
208.22
Synonyms:
None
SMILES:
O=N(=O)C1=CN=CC(=C1)N2CCNCC2
Tpsa:
71.3
Logp:
0.3994
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
2