CS-1004610
Methotrexate Impurity 32
Manufacturer: ChemScene
CAS Number: 708-74-7
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Purity
97%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₇H₈N₆
Molecular Weight
176.18
Synonyms
None
SMILES
N=1C=C(N=C2C1N=C(N=C2N)N)C
Tpsa
103.6
Logp
-0.10738
H Acceptors
6
H Donors
2
Rotatable Bonds
0
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: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₈N₆
Molecular Weight: 176.18
Synonyms: None
SMILES: N=1C=C(N=C2C1N=C(N=C2N)N)C
Tpsa: 103.6
Logp: -0.10738
H Acceptors: 6
H Donors: 2
Rotatable Bonds: 0
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₈N₆
Molecular Weight:
176.18
Synonyms:
None
SMILES:
N=1C=C(N=C2C1N=C(N=C2N)N)C
Tpsa:
103.6
Logp:
-0.10738
H Acceptors:
6
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: C₁₈H₂₄I₃N₃O₈
Molecular Weight: 791.11
Synonyms: None
SMILES: O=C(NCC(O)CO)C=1C(I)=C(C(=O)NCC(O)CO)C(I)=C(C1I)N(C(=O)C)CCO
Tpsa: 179.66
Logp: -0.9884
H Acceptors: 8
H Donors: 7
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:
C₁₈H₂₄I₃N₃O₈
Molecular Weight:
791.11
Synonyms:
None
SMILES:
O=C(NCC(O)CO)C=1C(I)=C(C(=O)NCC(O)CO)C(I)=C(C1I)N(C(=O)C)CCO
Tpsa:
179.66
Logp:
-0.9884
H Acceptors:
8
H Donors:
7
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: C₂₄H₃₁F₂NO₅S
Molecular Weight: 483.57
Synonyms: None
SMILES: C[C@@]12[C@]([C@]3([C@@](F)([C@]4(C)C([C@@H](F)C3)=CC(=O)C=C4)[C@@H](O)C1)[H])(C[C@@H](C)[C@@]2(C(SC(N(C)C)=O)=O)O)[H]
Tpsa: 94.91
Logp: 3.2237
H Acceptors: 6
H Donors: 2
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:
C₂₄H₃₁F₂NO₅S
Molecular Weight:
483.57
Synonyms:
None
SMILES:
C[C@@]12[C@]([C@]3([C@@](F)([C@]4(C)C([C@@H](F)C3)=CC(=O)C=C4)[C@@H](O)C1)[H])(C[C@@H](C)[C@@]2(C(SC(N(C)C)=O)=O)O)[H]
Tpsa:
94.91
Logp:
3.2237
H Acceptors:
6
H Donors:
2
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: C₂₀H₃₂
Molecular Weight: 272.47
Synonyms: None
SMILES: C(C/C=C(/CCC=C(C)C)\C)/C(=C/CCC(C=C)=C)/C
Tpsa: 0
Logp: 6.928
H Acceptors: 0
H Donors: 0
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:
C₂₀H₃₂
Molecular Weight:
272.47
Synonyms:
None
SMILES:
C(C/C=C(/CCC=C(C)C)\C)/C(=C/CCC(C=C)=C)/C
Tpsa:
0
Logp:
6.928
H Acceptors:
0
H Donors:
0
Rotatable Bonds:
10