CS-1013903
Sumatriptan Cyanomethyl Impurity
Manufacturer: ChemScene
CAS Number: 88918-76-7
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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
C₁₂H₁₃N₃O₂S
Molecular Weight
263.32
Synonyms
None
SMILES
N#CCC1=CNC=2C=CC(=CC21)CS(=O)(=O)NC
Tpsa
85.75
Logp
1.28318
H Acceptors
3
H Donors
2
Rotatable Bonds
4
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: C₁₂H₁₃N₃O₂S
Molecular Weight: 263.32
Synonyms: None
SMILES: N#CCC1=CNC=2C=CC(=CC21)CS(=O)(=O)NC
Tpsa: 85.75
Logp: 1.28318
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₃N₃O₂S
Molecular Weight:
263.32
Synonyms:
None
SMILES:
N#CCC1=CNC=2C=CC(=CC21)CS(=O)(=O)NC
Tpsa:
85.75
Logp:
1.28318
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₇N₃O₂S
Molecular Weight: 279.36
Synonyms: None
SMILES: O=S(=O)(NC)CC=1C=CC=2NC3=C(C2C1)CCNC3
Tpsa: 73.99
Logp: 0.8628
H Acceptors: 3
H Donors: 3
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:
C₁₃H₁₇N₃O₂S
Molecular Weight:
279.36
Synonyms:
None
SMILES:
O=S(=O)(NC)CC=1C=CC=2NC3=C(C2C1)CCNC3
Tpsa:
73.99
Logp:
0.8628
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
3
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₇H₃₇N₅O₂S
Molecular Weight: 495.68
Synonyms: None
SMILES: O=S(=O)(NC)CC=1C=CC2=C(C1)C(=CN2CC=3C=CC=4NC=C(C4C3)CCN(C)C)CCN(C)C
Tpsa: 73.37
Logp: 3.4283
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 11
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₇H₃₇N₅O₂S
Molecular Weight:
495.68
Synonyms:
None
SMILES:
O=S(=O)(NC)CC=1C=CC2=C(C1)C(=CN2CC=3C=CC=4NC=C(C4C3)CCN(C)C)CCN(C)C
Tpsa:
73.37
Logp:
3.4283
H Acceptors:
5
H Donors:
2
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: C₁₇H₂₁NO
Molecular Weight: 255.35
Synonyms: None
SMILES: O(C1=CC=C(C=C1C(C=2C=CC=CC2)CCN)C)C
Tpsa: 35.25
Logp: 3.48432
H Acceptors: 2
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:
C₁₇H₂₁NO
Molecular Weight:
255.35
Synonyms:
None
SMILES:
O(C1=CC=C(C=C1C(C=2C=CC=CC2)CCN)C)C
Tpsa:
35.25
Logp:
3.48432
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
5