NALDEMEDINE TOSYLATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H34N4O6.C7H8O3S
Molecular Weight	742.837
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC=C(C=C1)S(O)(=O)=O.CC(C)(NC(=O)C2=C(O)[C@@H]3OC4=C(O)C=CC5=C4[C@@]36CCN(CC7CC7)[C@H](C5)[C@]6(O)C2)C8=NC(=NO8)C9=CC=CC=C9

InChI

InChIKey=WCYDLROFMZJJLE-RTMHEQJQSA-N

InChI=1S/C32H34N4O6.C7H8O3S/c1-30(2,29-33-27(35-42-29)18-6-4-3-5-7-18)34-28(39)20-15-32(40)22-14-19-10-11-21(37)25-23(19)31(32,26(41-25)24(20)38)12-13-36(22)16-17-8-9-17;1-6-2-4-7(5-3-6)11(8,9)10/h3-7,10-11,17,22,26,37-38,40H,8-9,12-16H2,1-2H3,(H,34,39);2-5H,1H3,(H,8,9,10)/t22-,26+,31+,32-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C7H8O3S
Molecular Weight	172.202
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C32H34N4O6
Molecular Weight	570.6356
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:42:47 UTC 2023` Edited by `admin` on `Sat Dec 16 01:42:47 UTC 2023`
Record UNII	V1N8F1RVVO
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NALDEMEDINE TOSYLATE

Official Name

English

NALDEMEDINE TOSILATE [JAN]

Common Name

English

SYMPROIC

Brand Name

English

MORPHINAN-7-CARBOXAMIDE, 17-(CYCLOPROPYLMETHYL)-6,7-DIDEHYDRO-4,5-EPOXY-3,6,14-TRIHYDROXY-N-(1-METHYL-1-(3-PHENYL-1,2,4-OXADIAZOL-5-YL)ETHYL)-,(5.ALPHA.)-, 4-METHYLBENZENESULFONATE (1:1)

Common Name

English

NALDEMEDINE TOSILATE

Common Name

English

Naldemedine tosilate [WHO-DD]

Common Name

English

NALDEMEDINE TOSYLATE [ORANGE BOOK]

Common Name

English

NALDEMEDINE TOSYLATE [USAN]

Common Name

English

NALDEMEDINE TOSYLATE [MI]

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID10158809