U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C38H46N2O8
Molecular Weight 658.7804
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRUXILLINE, ALPHA-

SMILES

COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)[C@H]3[C@@H]([C@@H]([C@H]3C4=CC=CC=C4)C(=O)O[C@H]5C[C@@H]6CC[C@H]([C@H]5C(=O)OC)N6C)C7=CC=CC=C7)N2C

InChI

InChIKey=BUOSLGZEBFSUDD-XFKBZBJISA-N
InChI=1S/C38H46N2O8/c1-39-23-15-17-25(39)31(35(41)45-3)27(19-23)47-37(43)33-29(21-11-7-5-8-12-21)34(30(33)22-13-9-6-10-14-22)38(44)48-28-20-24-16-18-26(40(24)2)32(28)36(42)46-4/h5-14,23-34H,15-20H2,1-4H3/t23-,24-,25+,26+,27-,28-,29-,30-,31+,32+,33-,34-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
TRUXILLINE, ALPHA-
Common Name English
COCAINE HYDROCHLORIDE IMPURITY B [EP IMPURITY]
Common Name English
BIS((1R,2R,3S,5S)-2-(METHOXYCARBONYL)-8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL) (1R,2C,3T,4T)-2,4-DIPHENYLCYCLOBUTANE-1,3-DICARBOXYLATE
Systematic Name English
.GAMMA.-ISOATROPYLCOCAINE
Common Name English
TRUXILLINE, .ALPHA.-
Common Name English
1,3-CYCLOBUTANEDICARBOXYLIC ACID, 2,4-DIPHENYL-, 1,3-BIS((1R,2R,3S,5S)-2-(METHOXYCARBONYL)-8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL) ESTER, (1.ALPHA.,2.ALPHA.,3.BETA.,4.BETA.)-
Systematic Name English
.ALPHA.-TRUXILLIN
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
207-707-5
Created by admin on Sat Dec 16 10:19:31 GMT 2023 , Edited by admin on Sat Dec 16 10:19:31 GMT 2023
PRIMARY
FDA UNII
V7VU89LP2K
Created by admin on Sat Dec 16 10:19:31 GMT 2023 , Edited by admin on Sat Dec 16 10:19:31 GMT 2023
PRIMARY
CAS
490-17-5
Created by admin on Sat Dec 16 10:19:31 GMT 2023 , Edited by admin on Sat Dec 16 10:19:31 GMT 2023
PRIMARY
EPA CompTox
DTXSID90883400
Created by admin on Sat Dec 16 10:19:31 GMT 2023 , Edited by admin on Sat Dec 16 10:19:31 GMT 2023
PRIMARY