CS-1003712
Pregabalin Impurity 133
Manufacturer: ChemScene
CAS Number: 36986-61-5
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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
H₄N₂OS
Molecular Weight
80.11
Synonyms
None
SMILES
O=S(N)N
Tpsa
69.11
Logp
-1.5175
H Acceptors
1
H Donors
2
Rotatable Bonds
0
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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: H₄N₂OS
Molecular Weight: 80.11
Synonyms: None
SMILES: O=S(N)N
Tpsa: 69.11
Logp: -1.5175
H Acceptors: 1
H Donors: 2
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
H₄N₂OS
Molecular Weight:
80.11
Synonyms:
None
SMILES:
O=S(N)N
Tpsa:
69.11
Logp:
-1.5175
H Acceptors:
1
H Donors:
2
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₅H₇₄N₂O₁₄
Molecular Weight: 867.07
Synonyms: None
SMILES: O([C@H]1[C@H](OC(OCC2=CC=CC=C2)=O)[C@@H](N(C)C)C[C@@H](C)O1)[C@@H]3[C@@H](C)[C@H](O[C@H]4C[C@](OC)(C)C(=O)[C@H](C)O4)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)NC[C@H](C)C[C@@]3(C)O
Tpsa: 201.01
Logp: 4.1278
H Acceptors: 16
H Donors: 4
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:
C₄₅H₇₄N₂O₁₄
Molecular Weight:
867.07
Synonyms:
None
SMILES:
O([C@H]1[C@H](OC(OCC2=CC=CC=C2)=O)[C@@H](N(C)C)C[C@@H](C)O1)[C@@H]3[C@@H](C)[C@H](O[C@H]4C[C@](OC)(C)C(=O)[C@H](C)O4)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)NC[C@H](C)C[C@@]3(C)O
Tpsa:
201.01
Logp:
4.1278
H Acceptors:
16
H Donors:
4
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: C₃₅H₆₃NO₁₃
Molecular Weight: 705.87
Synonyms: None
SMILES: O([C@@H]1[C@@H](C)[C@H](O[C@H]2C[C@](OC)(C)[C@@H](O)[C@H](C)O2)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]1(C)O)[C@H]3[C@H](O)[C@@H](N)C[C@@H](C)O3
Tpsa: 216.69
Logp: 1.1827
H Acceptors: 14
H Donors: 6
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:
C₃₅H₆₃NO₁₃
Molecular Weight:
705.87
Synonyms:
None
SMILES:
O([C@@H]1[C@@H](C)[C@H](O[C@H]2C[C@](OC)(C)[C@@H](O)[C@H](C)O2)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]1(C)O)[C@H]3[C@H](O)[C@@H](N)C[C@@H](C)O3
Tpsa:
216.69
Logp:
1.1827
H Acceptors:
14
H Donors:
6
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: C₁₁H₁₅N₃O₃
Molecular Weight: 237.26
Synonyms: None
SMILES: C([C@H](NC(CN)=O)C(N)=O)C1=CC=C(O)C=C1
Tpsa: 118.44
Logp: -1.1365
H Acceptors: 4
H Donors: 4
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:
C₁₁H₁₅N₃O₃
Molecular Weight:
237.26
Synonyms:
None
SMILES:
C([C@H](NC(CN)=O)C(N)=O)C1=CC=C(O)C=C1
Tpsa:
118.44
Logp:
-1.1365
H Acceptors:
4
H Donors:
4
Rotatable Bonds:
5