CS-1001286
Ertapenem Impurity 3
Manufacturer: ChemScene
CAS Number: 1401451-19-1
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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
C₄₀H₃₆N₆O₁₄S₂
Molecular Weight
888.88
Synonyms
None
SMILES
C(NC1=CC(C(O)=O)=CC=C1)(=O)[C@H]2N(C(OCC3=CC=C(N(=O)=O)C=C3)=O)C[C@@H](SS[C@H]4C[C@@H](C(NC5=CC(C(O)=O)=CC=C5)=O)N(C(OCC6=CC=C(N(=O)=O)C=C6)=O)C4)C2
Tpsa
278.16
Logp
6.4174
H Acceptors
14
H Donors
4
Rotatable Bonds
15
Related Products
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: C₄₀H₃₆N₆O₁₄S₂
Molecular Weight: 888.88
Synonyms: None
SMILES: C(NC1=CC(C(O)=O)=CC=C1)(=O)[C@H]2N(C(OCC3=CC=C(N(=O)=O)C=C3)=O)C[C@@H](SS[C@H]4C[C@@H](C(NC5=CC(C(O)=O)=CC=C5)=O)N(C(OCC6=CC=C(N(=O)=O)C=C6)=O)C4)C2
Tpsa: 278.16
Logp: 6.4174
H Acceptors: 14
H Donors: 4
Rotatable Bonds: 15
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₀H₃₆N₆O₁₄S₂
Molecular Weight:
888.88
Synonyms:
None
SMILES:
C(NC1=CC(C(O)=O)=CC=C1)(=O)[C@H]2N(C(OCC3=CC=C(N(=O)=O)C=C3)=O)C[C@@H](SS[C@H]4C[C@@H](C(NC5=CC(C(O)=O)=CC=C5)=O)N(C(OCC6=CC=C(N(=O)=O)C=C6)=O)C4)C2
Tpsa:
278.16
Logp:
6.4174
H Acceptors:
14
H Donors:
4
Rotatable Bonds:
15
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₃N₃O₄S
Molecular Weight: 247.27
Synonyms: None
SMILES: O=C(NCCS(=O)(=O)CC)C1=NOC(=N1)C
Tpsa: 102.16
Logp: -0.45748
H Acceptors: 6
H Donors: 1
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:
C₈H₁₃N₃O₄S
Molecular Weight:
247.27
Synonyms:
None
SMILES:
O=C(NCCS(=O)(=O)CC)C1=NOC(=N1)C
Tpsa:
102.16
Logp:
-0.45748
H Acceptors:
6
H Donors:
1
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: C₂₀H₂₇NO₃
Molecular Weight: 329.43
Synonyms: None
SMILES: OC1=CC=C(C=C1)CCC(NCCC2=CC=C(OC)C(OC)=C2)C
Tpsa: 50.72
Logp: 3.5628
H Acceptors: 4
H Donors: 2
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:
C₂₀H₂₇NO₃
Molecular Weight:
329.43
Synonyms:
None
SMILES:
OC1=CC=C(C=C1)CCC(NCCC2=CC=C(OC)C(OC)=C2)C
Tpsa:
50.72
Logp:
3.5628
H Acceptors:
4
H Donors:
2
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: C₁₄H₂₂N₆O₅
Molecular Weight: 354.36
Synonyms: None
SMILES: C(OC[C@@H](COC([C@H](C(C)C)N)=O)O)N1C2=C(N=C1)C(=O)N=C(N)N2
Tpsa: 171.37
Logp: -1.4367
H Acceptors: 10
H Donors: 4
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:
C₁₄H₂₂N₆O₅
Molecular Weight:
354.36
Synonyms:
None
SMILES:
C(OC[C@@H](COC([C@H](C(C)C)N)=O)O)N1C2=C(N=C1)C(=O)N=C(N)N2
Tpsa:
171.37
Logp:
-1.4367
H Acceptors:
10
H Donors:
4
Rotatable Bonds:
8