CS-0531671
(2S,3S)-5-(2-(Dimethylamino)ethyl)-2-(4-hydroxyphenyl)-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepin-3-yl acetate hydrochloride Diltiazem Impurity)
Manufacturer: ChemScene
CAS Number: 1286126-67-7
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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
C₂₁H₂₅ClN₂O₄S
Molecular Weight
436.95
Synonyms
ZNPGBHQQNJBDCH-FDOHDBATSA-N
SMILES
CC(O[C@@H]1[C@@](C2=CC=C(C=C2)O)([H])SC3=CC=CC=C3N(C1=O)CCN(C)C)=O.Cl
Tpsa
70.08
Logp
3.4873
H Acceptors
6
H Donors
1
Rotatable Bonds
5
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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: C₂₁H₂₅ClN₂O₄S
Molecular Weight: 436.95
Synonyms: ZNPGBHQQNJBDCH-FDOHDBATSA-N
SMILES: CC(O[C@@H]1[C@@](C2=CC=C(C=C2)O)([H])SC3=CC=CC=C3N(C1=O)CCN(C)C)=O.Cl
Tpsa: 70.08
Logp: 3.4873
H Acceptors: 6
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:
C₂₁H₂₅ClN₂O₄S
Molecular Weight:
436.95
Synonyms:
ZNPGBHQQNJBDCH-FDOHDBATSA-N
SMILES:
CC(O[C@@H]1[C@@](C2=CC=C(C=C2)O)([H])SC3=CC=CC=C3N(C1=O)CCN(C)C)=O.Cl
Tpsa:
70.08
Logp:
3.4873
H Acceptors:
6
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: C₂₅H₃₂O₇
Molecular Weight: 444.52
Synonyms: Prednisolone 11,21-Diacetate
SMILES: C[C@@]12[C@]3([H])[C@](CCC1=CC(C=C2)=O)([H])[C@@]4([H])[C@](C[C@@H]3OC(C)=O)([C@](O)(CC4)C(COC(C)=O)=O)C
Tpsa: 106.97
Logp: 2.6992
H Acceptors: 7
H Donors: 1
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:
C₂₅H₃₂O₇
Molecular Weight:
444.52
Synonyms:
Prednisolone 11,21-Diacetate
SMILES:
C[C@@]12[C@]3([H])[C@](CCC1=CC(C=C2)=O)([H])[C@@]4([H])[C@](C[C@@H]3OC(C)=O)([C@](O)(CC4)C(COC(C)=O)=O)C
Tpsa:
106.97
Logp:
2.6992
H Acceptors:
7
H Donors:
1
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: C₂₁H₂₅ClN₂O₄S
Molecular Weight: 436.95
Synonyms: None
SMILES: [H]Cl.CC(O[C@@H]1[C@H](C2=CC=C(C=C2)OC)SC3=CC=CC=C3N(C1=O)CCNC)=O
Tpsa: 67.87
Logp: 3.4481
H Acceptors: 6
H Donors: 1
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:
C₂₁H₂₅ClN₂O₄S
Molecular Weight:
436.95
Synonyms:
None
SMILES:
[H]Cl.CC(O[C@@H]1[C@H](C2=CC=C(C=C2)OC)SC3=CC=CC=C3N(C1=O)CCNC)=O
Tpsa:
67.87
Logp:
3.4481
H Acceptors:
6
H Donors:
1
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: C₂₀H₂₅ClN₂O₃S
Molecular Weight: 408.94
Synonyms: Desacetyl Diltiazem Hydrochloride
SMILES: CN(C)CCN1C2=CC=CC=C2S[C@](C3=CC=C(C=C3)OC)([H])[C@H](C1=O)O.Cl
Tpsa: 53.01
Logp: 3.2195
H Acceptors: 5
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:
C₂₀H₂₅ClN₂O₃S
Molecular Weight:
408.94
Synonyms:
Desacetyl Diltiazem Hydrochloride
SMILES:
CN(C)CCN1C2=CC=CC=C2S[C@](C3=CC=C(C=C3)OC)([H])[C@H](C1=O)O.Cl
Tpsa:
53.01
Logp:
3.2195
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
5