CS-1002577
Rocuronium Bromide Impurity 44
Manufacturer: ChemScene
CAS Number: 2102929-98-4
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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
C₂₃H₃₇NO₂
Molecular Weight
359.55
Synonyms
None
SMILES
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@@](CC3)(C[C@@]5([C@](C4)(O5)[H])[H])[H])(CC1)[H])[H])(C[C@@H]([C@@H]2O)N6CCCC6)[H]
Tpsa
36
Logp
3.8416
H Acceptors
3
H Donors
1
Rotatable Bonds
1
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: C₂₃H₃₇NO₂
Molecular Weight: 359.55
Synonyms: None
SMILES: C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@@](CC3)(C[C@@]5([C@](C4)(O5)[H])[H])[H])(CC1)[H])[H])(C[C@@H]([C@@H]2O)N6CCCC6)[H]
Tpsa: 36
Logp: 3.8416
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₃H₃₇NO₂
Molecular Weight:
359.55
Synonyms:
None
SMILES:
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@@](CC3)(C[C@@]5([C@](C4)(O5)[H])[H])[H])(CC1)[H])[H])(C[C@@H]([C@@H]2O)N6CCCC6)[H]
Tpsa:
36
Logp:
3.8416
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₂₀N₂
Molecular Weight: 216.32
Synonyms: None
SMILES: C(N1C[C@@]2([C@@](C1)(NCCC2)[H])[H])C3=CC=CC=C3
Tpsa: 15.27
Logp: 1.8704
H Acceptors: 2
H Donors: 1
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:
C₁₄H₂₀N₂
Molecular Weight:
216.32
Synonyms:
None
SMILES:
C(N1C[C@@]2([C@@](C1)(NCCC2)[H])[H])C3=CC=CC=C3
Tpsa:
15.27
Logp:
1.8704
H Acceptors:
2
H Donors:
1
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: C₃H₉N₃O
Molecular Weight: 103.12
Synonyms: None
SMILES: O=C(NN)CCN
Tpsa: 81.14
Logp: -1.6749
H Acceptors: 3
H Donors: 3
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:
C₃H₉N₃O
Molecular Weight:
103.12
Synonyms:
None
SMILES:
O=C(NN)CCN
Tpsa:
81.14
Logp:
-1.6749
H Acceptors:
3
H Donors:
3
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: C₂₄H₂₁N
Molecular Weight: 323.43
Synonyms: None
SMILES: [C@@H](N=C(C)C=1C2=C(C=CC1)C=CC=C2)(C)C=3C4=C(C=CC3)C=CC=C4
Tpsa: 12.36
Logp: 6.5632
H Acceptors: 1
H Donors: 0
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:
C₂₄H₂₁N
Molecular Weight:
323.43
Synonyms:
None
SMILES:
[C@@H](N=C(C)C=1C2=C(C=CC1)C=CC=C2)(C)C=3C4=C(C=CC3)C=CC=C4
Tpsa:
12.36
Logp:
6.5632
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
3