(Q72492610)

English

Monatepil

chemical compound

N-(6,11-Dihydrobenzo[c][1]benzothiepin-11-yl)-4-[4-(4-fluorophenyl)piperazin-1-yl]butanamide

In more languages

default values for all languages

No label defined

No description defined

Statements

type of chemical entity

0 references

chemical compound

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475.20936179999995 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₀FN₃OS

0 references

canonical SMILES

O=C(CCCN1CCN(c2ccc(F)cc2)CC1)NC1c2ccccc2CSc2ccccc21

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C28H30FN3OS/c29-22-11-13-23(14-12-22)32-18-16-31(17-19-32)15-5-10-27(33)30-28-24-7-2-1-6-21(24)20-34-26-9-4-3-8-25(26)28/h1-4,6-9,11-14,28H,5,10,15-20H2,(H,30,33)

0 references

WFNRNNUZFPVBSM-UHFFFAOYSA-N

1 reference

based on heuristic

inferred from InChI

CAS Registry Number

0 references

1 reference

matched by identifier from

WFNRNNUZFPVBSM-UHFFFAOYSA-N

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C28H30FN3OS/c29-22-11-13-23(14-12-22)32-18-16-31(17-19-32)15-5-10-27(33)30-28-24-7-2-1-6-21(24)20-34-26-9-4-3-8-25(26)28/h1-4,6-9,11-14,28H,5,10,15-20H2,(H,30,33)

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

WFNRNNUZFPVBSM-UHFFFAOYSA-N

DSSTox substance ID

1 reference

matched by identifier from

WFNRNNUZFPVBSM-UHFFFAOYSA-N

Human Metabolome Database ID

1 reference

matched by identifier from

WFNRNNUZFPVBSM-UHFFFAOYSA-N

1 reference

matched by identifier from

WFNRNNUZFPVBSM-UHFFFAOYSA-N

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