CS-1001101
Treprostinil Impurity A
Manufacturer: ChemScene
CAS Number: 1345337-82-7
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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
C₂₇H₄₃NO₆
Molecular Weight
477.63
Synonyms
None
SMILES
C(C[C@H](CCCCC)O)[C@@H]1[C@@]2([C@@](CC=3C(C2)=CC=CC3OCC(N(CCO)CCO)=O)(C[C@H]1O)[H])[H]
Tpsa
110.46
Logp
2.3118
H Acceptors
6
H Donors
4
Rotatable Bonds
14
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: C₂₇H₄₃NO₆
Molecular Weight: 477.63
Synonyms: None
SMILES: C(C[C@H](CCCCC)O)[C@@H]1[C@@]2([C@@](CC=3C(C2)=CC=CC3OCC(N(CCO)CCO)=O)(C[C@H]1O)[H])[H]
Tpsa: 110.46
Logp: 2.3118
H Acceptors: 6
H Donors: 4
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:
C₂₇H₄₃NO₆
Molecular Weight:
477.63
Synonyms:
None
SMILES:
C(C[C@H](CCCCC)O)[C@@H]1[C@@]2([C@@](CC=3C(C2)=CC=CC3OCC(N(CCO)CCO)=O)(C[C@H]1O)[H])[H]
Tpsa:
110.46
Logp:
2.3118
H Acceptors:
6
H Donors:
4
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: C₂₂H₂₈N₄O₅
Molecular Weight: 428.48
Synonyms: None
SMILES: O=C1C=2C(O)=CC=C(O)C2C(=O)C=3C(=CC=C(NCCNCCO)C13)NCCN(C)C
Tpsa: 134.16
Logp: 0.8405
H Acceptors: 9
H Donors: 6
Rotatable Bonds: 10
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₂₈N₄O₅
Molecular Weight:
428.48
Synonyms:
None
SMILES:
O=C1C=2C(O)=CC=C(O)C2C(=O)C=3C(=CC=C(NCCNCCO)C13)NCCN(C)C
Tpsa:
134.16
Logp:
0.8405
H Acceptors:
9
H Donors:
6
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₂₁F₂NO₄
Molecular Weight: 401.40
Synonyms: None
SMILES: O=C(CNCC(=O)C1OC2=CC=C(F)C=C2CC1)C3OC4=CC=C(F)C=C4CC3
Tpsa: 64.63
Logp: 2.78
H Acceptors: 5
H Donors: 1
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:
C₂₂H₂₁F₂NO₄
Molecular Weight:
401.40
Synonyms:
None
SMILES:
O=C(CNCC(=O)C1OC2=CC=C(F)C=C2CC1)C3OC4=CC=C(F)C=C4CC3
Tpsa:
64.63
Logp:
2.78
H Acceptors:
5
H Donors:
1
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: C₂₃H₁₆F₃N₅OS
Molecular Weight: 467.47
Synonyms: None
SMILES: FC(F)(F)COC=1C=CN2C3=NC=4C=CC=CC4N3C(SC5=NC=6C=CC=CC6N5)=C2C1C
Tpsa: 59.62
Logp: 6.01722
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 4
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₃H₁₆F₃N₅OS
Molecular Weight:
467.47
Synonyms:
None
SMILES:
FC(F)(F)COC=1C=CN2C3=NC=4C=CC=CC4N3C(SC5=NC=6C=CC=CC6N5)=C2C1C
Tpsa:
59.62
Logp:
6.01722
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
4