Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C28H45N9O10S2 |
| Molecular Weight | 731.841 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CSSC[C@H](N)C(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CCC(=O)N2)C(=O)NCC(N)=O
InChI
InChIKey=PWEAEIPNFANUJR-DYKIIFRCSA-N
InChI=1S/C28H45N9O10S2/c1-13(2)8-16(23(41)32-10-21(31)39)35-26(44)19-4-3-7-37(19)27(45)18(12-49-48-11-14(29)28(46)47)36-25(43)17(9-20(30)38)34-24(42)15-5-6-22(40)33-15/h13-19H,3-12,29H2,1-2H3,(H2,30,38)(H2,31,39)(H,32,41)(H,33,40)(H,34,42)(H,35,44)(H,36,43)(H,46,47)/t14-,15-,16-,17-,18-,19-/m0/s1
| Molecular Formula | C28H45N9O10S2 |
| Molecular Weight | 731.841 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 14:48:48 UTC 2023
by
admin
on
Sat Dec 16 14:48:48 UTC 2023
|
| Record UNII |
T88CX64XWL
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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| Name | Type | Language | ||
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Common Name | English | ||
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Systematic Name | English | ||
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Common Name | English |
| Code System | Code | Type | Description | ||
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84953-80-0
Created by
admin on Sat Dec 16 14:48:48 UTC 2023 , Edited by admin on Sat Dec 16 14:48:48 UTC 2023
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154731588
Created by
admin on Sat Dec 16 14:48:48 UTC 2023 , Edited by admin on Sat Dec 16 14:48:48 UTC 2023
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PRIMARY | |||
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T88CX64XWL
Created by
admin on Sat Dec 16 14:48:48 UTC 2023 , Edited by admin on Sat Dec 16 14:48:48 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE ACTIVE |
Does not bind to Oxytocin Receptor but leads to significant social preference in the BALB/cByJ model, in a dose-dependent manner. The increased sociability was observed at both 24 h and 12 days following the end of a subchronic regimen with OT(4–9) (2.0 mg/kg).
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