Substances (GSRS)

1-(4-(3-(4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)-1-OXIDO-1-PIPERIDINYL)PROPOXY)-3-METHOXYPHENYL)ETHANONE

Also: ETHANONE, 1-(4-(3-(4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)-1-OXIDO-1-PIPERIDINYL)PROPOXY)-3-METHOXYPHENYL)-, ILOPERIDONE METABOLITE P42.6

chemicalUNII 92X4ARD4C6

Open FDA's page for this record

Substance class

chemical

Definition type

PRIMARY

Definition level

COMPLETE

Uuid

e6354ee6-309e-4ba4-8076-d0a26bf7d640

Version

UNII

92X4ARD4C6

Codes

Uuid
f953be70-09be-4592-a79e-f411286a4295
Code
1375651-09-4
Type
PRIMARY
Url
https://commonchemistry.cas.org/detail?cas_rn=1375651-09-4
Code system
CAS
References
0f573982-9f4b-43cc-ac8d-72f940fb18fb
Uuid
f5cbd815-84ea-cca7-1992-b93ebdec3695
Code
78322903
Type
PRIMARY
Url
https://pubchem.ncbi.nlm.nih.gov/compound/78322903
Code system
PUBCHEM
References
c9f21f81-2f7a-90aa-cb18-8de5f56ec04b
Uuid
0be81b52-d00b-4510-ad01-24baa302bd2c
Code
92X4ARD4C6
Type
PRIMARY
Code system
FDA UNII

Relationships

Uuid
57032f5d-3670-4a1b-b104-28a32b140c29
Comments
This metabolite counted 0.4 % of dose in excreta from all six human subjects following a single oral dose of 3 mg 14C ILO522.
Type
PARENT->METABOLITE
Interaction type
MINOR
References
0213f010-f9fc-cae2-1f1c-67b8b084d38c
Related substance
Uuid
e601f766-9ac4-4af6-b8f8-cd763cc47288
Refuuid
f1476505-8361-4080-8a97-c6b9a0fb89ed
Name
ILOPERIDONE
UNII
VPO7KJ050N
Linking ID
VPO7KJ050N
Ref pname
ILOPERIDONE
Substance class
reference

Names

Uuid
fdee3a13-4bb0-7c52-e0d6-39ffc336b8c2
Name
1-(4-(3-(4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)-1-OXIDO-1-PIPERIDINYL)PROPOXY)-3-METHOXYPHENYL)ETHANONE
StdName
1-(4-(3-(4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)-1-OXIDO-1-PIPERIDINYL)PROPOXY)-3-METHOXYPHENYL)ETHANONE
Type
sys
Preferred
false
Display name
true
Languages
en
References
d038cf21-28d7-4cf6-301c-4c0b0c782bbb
Uuid
fc95368a-9137-9747-d839-b4b718db64ef
Name
ETHANONE, 1-(4-(3-(4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)-1-OXIDO-1-PIPERIDINYL)PROPOXY)-3-METHOXYPHENYL)-
StdName
ETHANONE, 1-(4-(3-(4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)-1-OXIDO-1-PIPERIDINYL)PROPOXY)-3-METHOXYPHENYL)-
Type
sys
Preferred
false
Display name
false
Languages
en
References
d038cf21-28d7-4cf6-301c-4c0b0c782bbb
Uuid
64071f46-22e0-048c-25c6-d783c7197c8c
Name
ILOPERIDONE METABOLITE P42.6
StdName
ILOPERIDONE METABOLITE P42.6
Type
cn
Preferred
false
Display name
false
Languages
en
References
0213f010-f9fc-cae2-1f1c-67b8b084d38c

References

Uuid
0213f010-f9fc-cae2-1f1c-67b8b084d38c
Citation
https://www.accessdata.fda.gov/drugsatfda_docs/nda/2009/022192s000_ClinPharmR.pdf
Doc type
NDA PUBLIC REVIEW
Public domain
true
Tags
PUBLIC_DOMAIN_RELEASE
Uuid
d038cf21-28d7-4cf6-301c-4c0b0c782bbb
Citation
stn
Doc type
STN (SCIFINDER)
Public domain
true
Tags
PUBLIC_DOMAIN_RELEASE
Uuid
0f573982-9f4b-43cc-ac8d-72f940fb18fb
Citation
STN
Doc type
STN (SCIFINDER)
Public domain
true
Uuid
c9f21f81-2f7a-90aa-cb18-8de5f56ec04b
Citation
PUBCHEM
Doc type
PUBCHEM
Public domain
true

Moieties

Uuid
9f83d4a2-487a-c750-2c8f-1236e969c864
ID
9f83d4a2-487a-c750-2c8f-1236e969c864
Smiles
CC(=O)c1ccc(c(c1)OC)OCCC[N+]2(CCC(CC2)c3c4ccc(cc4on3)F)[O-]
Formula
C24H27FN2O5
Atropisomerism
No
Charge
0
Count
1
Stereochemistry
ACHIRAL
Defined stereo
0
Ez centers
0
Molecular weight
442.4809
Optical activity
NONE
Stereo centers
2
Molfile
Marvin 01132108172D 32 35 0 0 0 0 999 V2000 18.9764 -2.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4244 -2.6845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6793 -3.4691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4863 -3.6407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7412 -4.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1893 -5.0383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3824 -4.8668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1274 -4.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3204 -3.9107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7684 -4.5239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9614 -4.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4093 -4.9653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6025 -4.7937 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 15.1544 -4.1805 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 14.3475 -4.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5406 -3.8377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9886 -4.4507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2435 -5.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0506 -5.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1817 -4.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8461 -3.5255 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0256 -3.6117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8541 -4.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1396 -4.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1396 -5.6562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4252 -6.0687 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.8541 -6.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5686 -5.6562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5686 -4.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5481 -4.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8032 -5.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1002 -3.9837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 4 3 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 30 5 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 15 13 1 0 0 0 0 13 19 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 18 17 1 0 0 0 0 17 20 1 0 0 0 0 19 18 1 0 0 0 0 20 21 2 0 0 0 0 29 20 1 0 0 0 0 22 21 1 0 0 0 0 23 22 1 0 0 0 0 24 23 1 0 0 0 0 23 29 2 0 0 0 0 25 24 2 0 0 0 0 26 25 1 0 0 0 0 27 25 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 31 30 1 0 0 0 0 32 30 2 0 0 0 0 M CHG 2 13 1 14 -1 M END
Count amount
Type
MOL RATIO
Average
1
Units
MOL RATIO
Uuid
0fda1379-1d8c-495e-889c-6dee94b42580

Structure

ID: fcffcd88-7f53-c03e-f01a-1a7b04def7d1
Smiles: CC(=O)c1ccc(c(c1)OC)OCCC[N+]2(CCC(CC2)c3c4ccc(cc4on3)F)[O-]
Formula: C24H27FN2O5
Atropisomerism: No
Charge: 0
Count: 1
Stereochemistry: ACHIRAL
Defined stereo: 0
Ez centers: 0
Molecular weight: 442.4809
Optical activity: NONE
Stereo centers: 0
Molfile: Marvin 01132113062D 32 35 0 0 0 0 999 V2000 11.8461 -3.5255 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1817 -4.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5686 -4.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5686 -5.6562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8541 -6.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1396 -5.6562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1396 -4.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8541 -4.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0256 -3.6117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4252 -6.0687 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.9886 -4.4507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5406 -3.8377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3475 -4.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6025 -4.7937 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 14.0506 -5.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2435 -5.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4093 -4.9653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9614 -4.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7684 -4.5239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3204 -3.9107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1274 -4.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6793 -3.4691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4863 -3.6407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7412 -4.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1893 -5.0383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3824 -4.8668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5481 -4.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1002 -3.9837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8032 -5.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4244 -2.6845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9764 -2.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1544 -4.1805 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 3 2 0 0 0 0 5 4 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 1 1 0 0 0 0 8 3 1 0 0 0 0 10 6 1 0 0 0 0 11 2 1 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 11 1 0 0 0 0 17 14 1 0 0 0 0 18 17 1 0 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 21 20 1 0 0 0 0 22 21 1 0 0 0 0 23 22 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 21 2 0 0 0 0 27 24 1 0 0 0 0 28 27 2 0 0 0 0 29 27 1 0 0 0 0 30 22 1 0 0 0 0 31 30 1 0 0 0 0 14 32 1 0 0 0 0 M CHG 2 14 1 32 -1 M END
References: 0213f010-f9fc-cae2-1f1c-67b8b084d38c

Data from openFDA, FDA's public API. FDA says not to rely on it to make decisions about medical care and to treat every result as unvalidated; confirm against FDA's own record and the product labeling. Not medical or legal advice.