CS-1003816
Ertapenem Impurity 41
Manufacturer: ChemScene
CAS Number: 402955-34-4
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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
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]3CN(C([C@H]([C@@H](C)O)[C@]4([C@@H](C)C(S[C@H]5C[C@@H](C(NC6=CC(C(O)=O)=CC=C6)=O)NC5)=C(C(O)=O)N4)[H])=O)[C@H](C(NC7=CC(C(O)=O)=CC=C7)=O)C3)[H]
Tpsa
312.54
Logp
1.8814
H Acceptors
14
H Donors
10
Rotatable Bonds
16
Other Options
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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: 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]3CN(C([C@H]([C@@H](C)O)[C@]4([C@@H](C)C(S[C@H]5C[C@@H](C(NC6=CC(C(O)=O)=CC=C6)=O)NC5)=C(C(O)=O)N4)[H])=O)[C@H](C(NC7=CC(C(O)=O)=CC=C7)=O)C3)[H]
Tpsa: 312.54
Logp: 1.8814
H Acceptors: 14
H Donors: 10
Rotatable Bonds: 16
Purity:
98%
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]3CN(C([C@H]([C@@H](C)O)[C@]4([C@@H](C)C(S[C@H]5C[C@@H](C(NC6=CC(C(O)=O)=CC=C6)=O)NC5)=C(C(O)=O)N4)[H])=O)[C@H](C(NC7=CC(C(O)=O)=CC=C7)=O)C3)[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)(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)=O)=CC=C4)=O)NC3)[H])N5[C@H](C(NC6=CC(C(O)=O)=CC=C6)=O)C[C@H](SC7=C(C(O)=O)N8[C@]([C@H]7C)([C@@]([C@@H](C)O)(C8=O)[H])[H])C5
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)(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)=O)=CC=C4)=O)NC3)[H])N5[C@H](C(NC6=CC(C(O)=O)=CC=C6)=O)C[C@H](SC7=C(C(O)=O)N8[C@]([C@H]7C)([C@@]([C@@H](C)O)(C8=O)[H])[H])C5
Tpsa:
283.52
Logp:
2.0494
H Acceptors:
13
H Donors:
8
Rotatable Bonds:
14
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₂₆O₆
Molecular Weight: 362.42
Synonyms: None
SMILES: CC1=C2C(=C(O)C(C/C=C(/CCC(OC(C)C)=O)\C)=C1OC)C(=O)OC2
Tpsa: 82.06
Logp: 3.60022
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₂₆O₆
Molecular Weight:
362.42
Synonyms:
None
SMILES:
CC1=C2C(=C(O)C(C/C=C(/CCC(OC(C)C)=O)\C)=C1OC)C(=O)OC2
Tpsa:
82.06
Logp:
3.60022
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₂₃ClN₂O₃
Molecular Weight: 398.88
Synonyms: None
SMILES: O=C(OCC)N1CCC(CC1)C2C3=NC=CC=C3CC(=O)C4=CC(Cl)=CC=C42
Tpsa: 59.5
Logp: 4.4742
H Acceptors: 4
H Donors: 0
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:
C₂₂H₂₃ClN₂O₃
Molecular Weight:
398.88
Synonyms:
None
SMILES:
O=C(OCC)N1CCC(CC1)C2C3=NC=CC=C3CC(=O)C4=CC(Cl)=CC=C42
Tpsa:
59.5
Logp:
4.4742
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
2