Compound Summary
Compound Information
112960-16-4
Compound Name: | 112960-16-4 |
Compound CID: | 11957668 |
Synonyms: | 112960-16-4 300576-59-4 (+)-PD 128907 hydrochloride PD128907 HCl PD128907 Hydrochloride More... |
Iupac Name: | (4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-9-ol;hydrochloride |
InChI: | InChI=1S/C14H19NO3.ClH/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15;/h3-4,8,12,14,16H,2,5-7,9H2,1H3;1H/t12-,14-;/m1./s1 |
InChIKey: | DCFXOTRONMKUJB-QMDUSEKHSA-N |
Canonical Smiles: | CCCN1CCOC2C1COC3=C2C=C(C=C3)O.Cl |
Isomeric Smiles: | CCCN1CCO[C@H]2[C@H]1COC3=C2C=C(C=C3)O.Cl |
Molecular Weight: | 285.76 |
Molecular Formula: | C14H20ClNO3 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
112960-16-4
Molecular Weight: | 285.76 |
Molecular Formula: | C14H20ClNO3 |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 4 |
Rotatable Bond Count: | 2 |
Heavy Atom Count: | 19 |
Complexity: | 286 |
Synonyms
112960-16-4
| 112960-16-4 | 112960-16-4 |
|---|---|
112960-16-4 |
300576-59-4 |
(+)-PD 128907 hydrochloride |
PD128907 HCl |
PD128907 Hydrochloride |
(+)-PD 128970 HCl |
(+/-)-PD 128,907 hydrochloride |
S(+)-PD 128,907 hydrochloride |
(4aR,10bR)-rel-4-Propyl-2,3,4,4a,5,10b-hexahydrochromeno4,3-b1,4oxazin-9-ol hydrochloride |
(+)-PD 128,907 hydrochloride |
(+)-PD 128907 HCl |
PD 125,530 |
(4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno4,3-b1,4oxazin-9-ol;hydrochloride |
(+)-(4aR,10bR)-3,4,4a,10b-Tetrahydro-4-propyl-2H,5H-1benzopyrano4,3-b-1,4-oxazin-9-ol hydrochloride |
(4aR,10bR)-4-Propyl-3,4,4a,10b-tetrahydro-2H,5H-chromeno4,3-b1,4oxazin-9-ol hydrochloride |
MFCD00210210 |
SR-01000075396 |
(+)PD 128907 |
EU-0101038 |
MLS002153393 |
CHEMBL1256778 |
SCHEMBL15937756 |
DTXSID601017395 |
(y)-PD 128,907 hydrochloride |
(+)pD 128907 HCl |
(?)-PD 128,907 hydrochloride |
Tox21_501038 |
MFCD06858201 |
(+/-)-PD 128907 hydrochloride |
AKOS015900216 |
DS-8408 |
EX-3305 |
LP00988 |
LP01038 |
SPD-128907 |
NCGC00094286-01 |
NCGC00094286-02 |
NCGC00261723-01 |
AC-32892 |
SMR001230774 |
HY-110000 |
PD 125530 |
CS-0032813 |
EU-0100988 |
P-183 |
P-216 |
D83189 |
O12068 |
S(+)-(4aR,10bR)-3,4,4a,10b- |
(+)-PD 128,907 hydrochloride, >97%, solid |
A894503 |
SR-01000597915 |
J-002884 |
J-017752 |
R(-)-PD 128,908 hydrochloride, >97%, solid |
SR-01000075396-1 |
SR-01000075396-2 |
SR-01000597915-1 |
( inverted question mark)-PD 128,907 hydrochloride |
(+/-)-PD 128,907 hydrochloride, solid, >=98% (HPLC) |
Tetrahydro-4-propyl-2H,5H-1benzopyrano-4,3-b-1,4-oxazin-9-ol hydrochloride |
(4aR,10aR)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4,9-dioxa-1-aza-phenanthren-6-ol hydrochloride |
(4aR,10bR)-3,4a,4,10b-Tetrahydro-4-propyl-2H,5H-1benzopyrano-4,3-b-1,4-oxazin-9-ol hydrochloride |
(4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno4,3-b1,4oxazin-9-ol, hydrochloride |
2H,5H-1Benzopyrano4,3-b-1,4-oxazin-9-ol,3,4,4a,10b-tetrahydro-4-propyl-, hydrochloride (1:1), (4aR,10bR)-rel- |
PD 125,530, trans-(+/-)-3,4,4a,10b-Tetrahydro-4-propyl-2H,5H-1benzopyrano4,3-b-1,4-oxazin-9-ol hydrochloride |
REL-(4AR,10BR)-4-PROPYL-2,3,4,4A,5,10B-HEXAHYDROCHROMENO4,3-B1,4OXAZIN-9-OL HCL |
trans-(+/-)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4,9-dioxa-1-aza-phenanthren-6-ol hydrochloride |
trans-(+/-)-3,4,4a,10b-Tetrahydro-4-propyl-2H,5H-1benzopyrano4,3-b-1,4-oxazin-9-ol hydrochloride |
Experimental Data
112960-16-4
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33 | umol/L | 4 | NS | N2 | 24134630 | Inactive | ||||||
| Caenorhabditis elegans | 33 | umol/L | 5 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
112960-16-4
Statistics Data
112960-16-4
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 5 | 1 | 2 |
Statistics Data Visualization
112960-16-4
