CS-1002768
Ertapenem Impurity 40
Manufacturer: ChemScene
CAS Number: 2220995-07-1
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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
C₂₂H₂₇N₃O₈S
Molecular Weight
493.53
Synonyms
None
SMILES
[C@H]([C@@H](C)O)(C(O)=O)[C@]1([C@@H](C)[C@@H](S[C@H]2C[C@@H](C(NC3=CC(C(O)=O)=CC=C3)=O)NC2)C(C(O)=O)=N1)[H]
Tpsa
185.62
Logp
0.7811
H Acceptors
8
H Donors
6
Rotatable Bonds
9
SAFETY INFORMATION
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: C₂₂H₂₇N₃O₈S
Molecular Weight: 493.53
Synonyms: None
SMILES: [C@H]([C@@H](C)O)(C(O)=O)[C@]1([C@@H](C)[C@@H](S[C@H]2C[C@@H](C(NC3=CC(C(O)=O)=CC=C3)=O)NC2)C(C(O)=O)=N1)[H]
Tpsa: 185.62
Logp: 0.7811
H Acceptors: 8
H Donors: 6
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:
C₂₂H₂₇N₃O₈S
Molecular Weight:
493.53
Synonyms:
None
SMILES:
[C@H]([C@@H](C)O)(C(O)=O)[C@]1([C@@H](C)[C@@H](S[C@H]2C[C@@H](C(NC3=CC(C(O)=O)=CC=C3)=O)NC2)C(C(O)=O)=N1)[H]
Tpsa:
185.62
Logp:
0.7811
H Acceptors:
8
H Donors:
6
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: C₂₀H₁₉N₃O₄
Molecular Weight: 365.38
Synonyms: None
SMILES: C#CC1=CC=CC(=C1)NC=2N=CN=C3C=C(OCCOCCO)C(O)=CC32
Tpsa: 96.73
Logp: 2.448
H Acceptors: 7
H Donors: 3
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₁₉N₃O₄
Molecular Weight:
365.38
Synonyms:
None
SMILES:
C#CC1=CC=CC(=C1)NC=2N=CN=C3C=C(OCCOCCO)C(O)=CC32
Tpsa:
96.73
Logp:
2.448
H Acceptors:
7
H Donors:
3
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₅N₇O₄
Molecular Weight: 297.27
Synonyms: None
SMILES: N(\N)=C/1\N(C=2C(N1)=C(N)N=CN2)[C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O
Tpsa: 180.82
Logp: -3.2725
H Acceptors: 10
H Donors: 6
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:
C₁₀H₁₅N₇O₄
Molecular Weight:
297.27
Synonyms:
None
SMILES:
N(\N)=C/1\N(C=2C(N1)=C(N)N=CN2)[C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O
Tpsa:
180.82
Logp:
-3.2725
H Acceptors:
10
H Donors:
6
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: C₁₂H₁₆ClN
Molecular Weight: 209.72
Synonyms: None
SMILES: Cl.C=CCNC1C=2C=CC=CC2CC1
Tpsa: 12.03
Logp: 2.8713
H Acceptors: 1
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:
C₁₂H₁₆ClN
Molecular Weight:
209.72
Synonyms:
None
SMILES:
Cl.C=CCNC1C=2C=CC=CC2CC1
Tpsa:
12.03
Logp:
2.8713
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
3