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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, BETA-

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)C5=CC=CC=C5)C(=O)O[C@H]6C[C@@H]7CC[C@H]([C@H]6C(=O)OC)N7C)N2C

InChI

InChIKey=SYSWFFZJNZSEIZ-FGABBBEOSA-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)30(22-13-9-6-10-14-22)34(33)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

Molecular Formula C38H46N2O8
Molecular Weight 658.7804
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 12 / 12
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:49:50 GMT 2023
Edited
by admin
on Sat Dec 16 11:49:50 GMT 2023
Record UNII
X4WN4Y5R5N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TRUXILLINE, BETA-
Common Name English
BIS((1R,2R,3S,5S)-2-(METHOXYCARBONYL)-8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL) (1R,2C,3T,4T)-3,4-DIPHENYLCYCLOBUTANE-1,2-DICARBOXYLATE
Systematic Name English
.BETA.-TRUXILLINE
Common Name English
.DELTA.-ISOATROPYLCOCAINE
Common Name English
ISOCOCAMINE
Common Name English
COCAINE HYDROCHLORIDE IMPURITY C [EP IMPURITY]
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID101317835
Created by admin on Sat Dec 16 11:49:50 GMT 2023 , Edited by admin on Sat Dec 16 11:49:50 GMT 2023
PRIMARY
PUBCHEM
12310847
Created by admin on Sat Dec 16 11:49:50 GMT 2023 , Edited by admin on Sat Dec 16 11:49:50 GMT 2023
PRIMARY
FDA UNII
X4WN4Y5R5N
Created by admin on Sat Dec 16 11:49:50 GMT 2023 , Edited by admin on Sat Dec 16 11:49:50 GMT 2023
PRIMARY
CAS
490-15-3
Created by admin on Sat Dec 16 11:49:50 GMT 2023 , Edited by admin on Sat Dec 16 11:49:50 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP