CS-1000667
Ertapenem Impurity 7 Ertapenem Dimer Amide Impurity
Manufacturer: ChemScene
CAS Number: 1199797-42-6
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Purity
≥95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₄₄H₅₀N₆O₁₄S₂
Molecular Weight
951.03
Synonyms
None
SMILES
C(O)(=O)C=1N2[C@@]([C@@]([C@@H](C)O)(C2=O)[H])([C@@H](C)C1S[C@H]3C[C@@H](C(NC4=CC(C(=O)N5[C@@]([C@@H]([C@@H](C)O)C(O)=O)([C@@H](C)C(S[C@H]6C[C@@H](C(NC7=CC(C(O)=O)=CC=C7)=O)NC6)=C5C(O)=O)[H])=CC=C4)=O)NC3)[H]
Tpsa
312.54
Logp
1.8814
H Acceptors
14
H Donors
10
Rotatable Bonds
16
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: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₄H₅₀N₆O₁₄S₂
Molecular Weight: 951.03
Synonyms: None
SMILES: C(O)(=O)C=1N2[C@@]([C@@]([C@@H](C)O)(C2=O)[H])([C@@H](C)C1S[C@H]3C[C@@H](C(NC4=CC(C(=O)N5[C@@]([C@@H]([C@@H](C)O)C(O)=O)([C@@H](C)C(S[C@H]6C[C@@H](C(NC7=CC(C(O)=O)=CC=C7)=O)NC6)=C5C(O)=O)[H])=CC=C4)=O)NC3)[H]
Tpsa: 312.54
Logp: 1.8814
H Acceptors: 14
H Donors: 10
Rotatable Bonds: 16
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₄H₅₀N₆O₁₄S₂
Molecular Weight:
951.03
Synonyms:
None
SMILES:
C(O)(=O)C=1N2[C@@]([C@@]([C@@H](C)O)(C2=O)[H])([C@@H](C)C1S[C@H]3C[C@@H](C(NC4=CC(C(=O)N5[C@@]([C@@H]([C@@H](C)O)C(O)=O)([C@@H](C)C(S[C@H]6C[C@@H](C(NC7=CC(C(O)=O)=CC=C7)=O)NC6)=C5C(O)=O)[H])=CC=C4)=O)NC3)[H]
Tpsa:
312.54
Logp:
1.8814
H Acceptors:
14
H Donors:
10
Rotatable Bonds:
16
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₄H₄₈N₆O₁₃S₂
Molecular Weight: 933.01
Synonyms: None
SMILES: C(O)(=O)C=1N2[C@@]([C@@]([C@@H](C)O)(C2=O)[H])([C@@H](C)C1S[C@@H]3CN(C(=O)C4=CC(NC(=O)[C@@H]5C[C@H](SC6=C(C(O)=O)N7[C@]([C@H]6C)([C@@]([C@@H](C)O)(C7=O)[H])[H])CN5)=CC=C4)[C@H](C(NC8=CC(C(O)=O)=CC=C8)=O)C3)[H]
Tpsa: 283.52
Logp: 2.0494
H Acceptors: 13
H Donors: 8
Rotatable Bonds: 14
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₄H₄₈N₆O₁₃S₂
Molecular Weight:
933.01
Synonyms:
None
SMILES:
C(O)(=O)C=1N2[C@@]([C@@]([C@@H](C)O)(C2=O)[H])([C@@H](C)C1S[C@@H]3CN(C(=O)C4=CC(NC(=O)[C@@H]5C[C@H](SC6=C(C(O)=O)N7[C@]([C@H]6C)([C@@]([C@@H](C)O)(C7=O)[H])[H])CN5)=CC=C4)[C@H](C(NC8=CC(C(O)=O)=CC=C8)=O)C3)[H]
Tpsa:
283.52
Logp:
2.0494
H Acceptors:
13
H Donors:
8
Rotatable Bonds:
14
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₁₇N₃O₅S
Molecular Weight: 375.40
Synonyms: None
SMILES: O=C(O)C1=CN=C(C(=C1OC)C)CS(=O)C2=NC=3C=C(OC)C=CC3N2
Tpsa: 114.4
Logp: 2.28952
H Acceptors: 6
H Donors: 2
Rotatable Bonds: 6
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₁₇N₃O₅S
Molecular Weight:
375.40
Synonyms:
None
SMILES:
O=C(O)C1=CN=C(C(=C1OC)C)CS(=O)C2=NC=3C=C(OC)C=CC3N2
Tpsa:
114.4
Logp:
2.28952
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₂₆N₄O₃
Molecular Weight: 274.36
Synonyms: None
SMILES: O=C(O)C(NC(=O)C(N)CCCCN)CCCCN
Tpsa: 144.46
Logp: -0.8589
H Acceptors: 5
H Donors: 5
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₂₆N₄O₃
Molecular Weight:
274.36
Synonyms:
None
SMILES:
O=C(O)C(NC(=O)C(N)CCCCN)CCCCN
Tpsa:
144.46
Logp:
-0.8589
H Acceptors:
5
H Donors:
5
Rotatable Bonds:
11