CS-0914149
Rel-N-(5-((S)-2-(Benzyl((R)-1-(4-methoxyphenyl)propan-2-yl)amino)-1-hydroxyethyl)-2-(benzyloxy)phenyl)formamide fumarate(2:1)
Manufacturer: ChemScene
CAS Number: 143687-26-7
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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
C₇₀H₇₆N₄O₁₂
Molecular Weight
1165.37
Synonyms
None
SMILES
O=CNC1=CC([C@@H](O)CN([C@@H](C)CC2=CC=C(OC)C=C2)CC3=CC=CC=C3)=CC=C1OCC4=CC=CC=C4.O=CNC5=CC([C@@H](O)CN([C@@H](C)CC6=CC=C(OC)C=C6)CC7=CC=CC=C7)=CC=C5OCC8=CC=CC=C8.O=C(O)/C=C/C(O)=O
Tpsa
145.63
Logp
5.7211
H Acceptors
7
H Donors
4
Rotatable Bonds
16
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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: C₇₀H₇₆N₄O₁₂
Molecular Weight: 1165.37
Synonyms: None
SMILES: O=CNC1=CC([C@@H](O)CN([C@@H](C)CC2=CC=C(OC)C=C2)CC3=CC=CC=C3)=CC=C1OCC4=CC=CC=C4.O=CNC5=CC([C@@H](O)CN([C@@H](C)CC6=CC=C(OC)C=C6)CC7=CC=CC=C7)=CC=C5OCC8=CC=CC=C8.O=C(O)/C=C/C(O)=O
Tpsa: 145.63
Logp: 5.7211
H Acceptors: 7
H Donors: 4
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:
C₇₀H₇₆N₄O₁₂
Molecular Weight:
1165.37
Synonyms:
None
SMILES:
O=CNC1=CC([C@@H](O)CN([C@@H](C)CC2=CC=C(OC)C=C2)CC3=CC=CC=C3)=CC=C1OCC4=CC=CC=C4.O=CNC5=CC([C@@H](O)CN([C@@H](C)CC6=CC=C(OC)C=C6)CC7=CC=CC=C7)=CC=C5OCC8=CC=CC=C8.O=C(O)/C=C/C(O)=O
Tpsa:
145.63
Logp:
5.7211
H Acceptors:
7
H Donors:
4
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: C₇₀H₇₆N₄O₁₂
Molecular Weight: 1165.37
Synonyms: None
SMILES: O=CNC1=CC([C@@H](O)CN([C@H](C)CC2=CC=C(OC)C=C2)CC3=CC=CC=C3)=CC=C1OCC4=CC=CC=C4.O=CNC5=CC([C@@H](O)CN([C@H](C)CC6=CC=C(OC)C=C6)CC7=CC=CC=C7)=CC=C5OCC8=CC=CC=C8.O=C(O)/C=C/C(O)=O
Tpsa: 145.63
Logp: 5.7211
H Acceptors: 7
H Donors: 4
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:
C₇₀H₇₆N₄O₁₂
Molecular Weight:
1165.37
Synonyms:
None
SMILES:
O=CNC1=CC([C@@H](O)CN([C@H](C)CC2=CC=C(OC)C=C2)CC3=CC=CC=C3)=CC=C1OCC4=CC=CC=C4.O=CNC5=CC([C@@H](O)CN([C@H](C)CC6=CC=C(OC)C=C6)CC7=CC=CC=C7)=CC=C5OCC8=CC=CC=C8.O=C(O)/C=C/C(O)=O
Tpsa:
145.63
Logp:
5.7211
H Acceptors:
7
H Donors:
4
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: C₄H₇N₃
Molecular Weight: 97.12
Synonyms: None
SMILES: CC1=NN(C)C=N1
Tpsa: 30.71
Logp: 0.12352
H Acceptors: 3
H Donors: 0
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:
C₄H₇N₃
Molecular Weight:
97.12
Synonyms:
None
SMILES:
CC1=NN(C)C=N1
Tpsa:
30.71
Logp:
0.12352
H Acceptors:
3
H Donors:
0
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: C₃₂H₃₄N₂O₅
Molecular Weight: 526.62
Synonyms: None
SMILES: O(CC1=CC=CC=C1)C2=C(N(=O)=O)C=C([C@H](CN(CC3=CC=CC=C3)[C@H](CC4=CC=C(OC)C=C4)C)O)C=C2
Tpsa: 85.07
Logp: 6.3492
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 13
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₂H₃₄N₂O₅
Molecular Weight:
526.62
Synonyms:
None
SMILES:
O(CC1=CC=CC=C1)C2=C(N(=O)=O)C=C([C@H](CN(CC3=CC=CC=C3)[C@H](CC4=CC=C(OC)C=C4)C)O)C=C2
Tpsa:
85.07
Logp:
6.3492
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
13