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Compound Summary

112960-16-4

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	Dose	Unit	Control(Avg days)	Treatment(Avg days)	Avg/Med Lifespan Change(%)	Control(Max days)	Treatment(Max days)	Max Lifespan Change(%)	Significant	Strain	Gender	PubMed	Avg/Med Lifespan Change tab
Caenorhabditis elegans	33.000000000000000	umol/L			4.000000000000000				NS	N2		24134630	Inactive
Caenorhabditis elegans	33.000000000000000	umol/L			5.000000000000000				NS	N2		24134630	Inactive

Experimental Data Visualization

112960-16-4

Statistics Data

112960-16-4

Species	Avg/Med Lifespan Change(%)	Max Lifespan Change(%)	Count Reference	Count Data point
Caenorhabditis elegans	5.000000000000000		1	2

Statistics Data Visualization

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

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

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

112960-16-4

300576-59-4

(+)-PD 128907 hydrochloride

PD128907 HCl

PD128907 Hydrochloride

More...