(Q27292434)

UNII-W7DQT6KY5S (English)

14 October 2016

stereoisomer of

propoxyphene napsylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₂H₃₇NO₅S

1 reference

UNII-W7DQT6KY5S (English)

14 October 2016

canonical SMILES

CCC(=O)OC(CC1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN(C)C.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O

1 reference

UNII-W7DQT6KY5S (English)

14 October 2016

isomeric SMILES

CCC(=O)O[C@@](CC1=CC=CC=C1)(C2=CC=CC=C2)[C@@H](C)CN(C)C.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O

1 reference

UNII-W7DQT6KY5S (English)

InChI=1S/C22H29NO2.C10H8O3S/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h6-15,18H,5,16-17H2,1-4H3;1-7H,(H,11,12,13)/t18-,22+;/m0./s1

14 October 2016

Identifiers

InChI

1 reference

UNII-W7DQT6KY5S (English)

14 October 2016

1 reference

Global Substance Registration System

UNII-W7DQT6KY5S (English)

14 October 2016

2 references

levopropoxyphene napsylate anhydrous (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=5714-90-9

9 April 2021

1 reference

levopropoxyphene napsylate (English)

14 October 2016

2 references

UNII-W7DQT6KY5S (English)

matched by identifier from

14 October 2016

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

LEVOPROPOXYPHENE NAPSYLATE ANHYDROUS (English)

14 October 2016

1 reference

2 references

matched by identifier from

DSSTOX compound identifier

DTXCID6025563

0 references

EC number

227-209-1

1 reference

stated in

Global Substance Registration System

levopropoxyphene napsylate anhydrous (English)

ECHA Substance Infocard ID

14 October 2016

100.024.736

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.024.736

27 December 2018

Levopropoxyphene napsilate (English)

quotation

CAS no.: 5714-90-9 (English)

Global Substance Registration System

2 references

stated in

levopropoxyphene napsylate anhydrous (English)

matched by identifier from

14 October 2016