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4-[3-(4-Benzylpiperidin-1-yl)propionyl]-7-methoxy-2,3,4,5-tetrahydro-1,4-benzothiazepine

4-[3-(4-Benzylpiperidin-1-yl)propionyl]-7-methoxy-2,3,4,5-tetrahydro-1,4-benzothiazepine structure

CAS No:
145903-06-6
Formula:
C25H32N2O2S
Chemical Name:
4-[3-(4-Benzylpiperidin-1-yl)propionyl]-7-methoxy-2,3,4,5-tetrahydro-1,4-benzothiazepine
Synonyms:
1-Propanone,1-(2,3-dihydro-7-methoxy-1,4-benzothiazepin-4(5H)-yl)-3-[4-(phenylmethyl)-1-piperidinyl]-;1,4-Benzothiazepine,2,3,4,5-tetrahydro-7-methoxy-4-[1-oxo-3-[4-(phenylmethyl)-1-piperidinyl]propyl]-;1-(2,3-Dihydro-7-methoxy-1,4-benzothiazepin-4(5H)-yl)-3-[4-(phenylmethyl)-1-piperidinyl]-1-propanone;4-[3-[1-(4-Benzyl)piperidinyl]propionyl]-7-methoxy-2,3,4,5-tetrahydro-1,4-benzothiazepine;4-[3-(4-Benzylpiperidin-1-yl)propionyl]-7-methoxy-2,3,4,5-tetrahydro-1,4-benzothiazepine

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4-[3-(4-Benzylpiperidin-1-yl)propionyl]-7-methoxy-2,3,4,5-tetrahydro-1,4-benzothiazepine Basic Attributes

Molecular Weight：

424.59900

Exact Mass：

424.60

UNII：

EBY0ENK2GQ

DSSTox ID：

DTXSID60163201

Characteristics

PSA：

58.08000

XLogP3：

4.35010

Density：

1.153g/cm3

Boiling Point：

615.133ºC

Flash Point：

325.821ºC

Safety Information

Precautionary statement(s)：

P273; P501

Hazard Statements：

H410

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P273, P301+P312, P330, and P501|Aggregated GHS information provided by 127 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

4-(3-(1-(4-benzyl) piperidinyl) propionyl)-7-methoxy-2,3,4,5-tetrahydro-1,4-benzothiazepine

Computed Properties

Molecular Weight:424.6
XLogP3:4.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:424.21844944
Monoisotopic Mass:424.21844944
Topological Polar Surface Area:58.1
Heavy Atom Count:30
Complexity:531
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-[3-(4-Benzylpiperidin-1-yl)propionyl]-7-methoxy-2,3,4,5-tetrahydro-1,4-benzothiazepine

Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties

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