Triamcinolone aminobenzal benzamidoisobutyrate

Details

Stereochemistry	MIXED
Molecular Formula	C41H47FN2O8
Molecular Weight	714.8189
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Triamcinolone aminobenzal benzamidoisobutyrate

Structure Search

SMILES

[H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]1(OC(O2)C6=CC=C(C=C6)N(C)C)C(=O)COC(=O)C(C)CNC(=O)C7=CC=CC=C7

InChI

InChIKey=NHLSSOMFJSWGTD-LGQYYMPKSA-N

InChI=1S/C41H47FN2O8/c1-24(22-43-35(48)25-9-7-6-8-10-25)36(49)50-23-33(47)41-34(51-37(52-41)26-11-14-28(15-12-26)44(4)5)20-31-30-16-13-27-19-29(45)17-18-38(27,2)40(30,42)32(46)21-39(31,41)3/h6-12,14-15,17-19,24,30-32,34,37,46H,13,16,20-23H2,1-5H3,(H,43,48)/t24?,30-,31-,32-,34+,37?,38-,39-,40-,41+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C41H47FN2O8
Molecular Weight	714.8189
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	8 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:04:04 UTC 2023` Edited by `admin` on `Sat Dec 16 17:04:04 UTC 2023`
Record UNII	X2TL3ZVQ99
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Triamcinolone aminobenzal benzamidoisobutyrate

Common Name

English

Pregna-1,4-diene-3,20-dione, 21-[3-(benzoylamino)-2-methyl-1-oxopropoxy]-16,17-[[[4-(dimethylamino)phenyl]methylene]bis(oxy)]-9-fluoro-11-hydroxy-, (11β,16α)-

Systematic Name

English

16-alpha,17-alpha-(p-Dimethylaminobenzyliden)triamcinolone 21-(beta-benzoylamino)isobutyrate

Systematic Name

English

TBI-PAB

Code

English

21-[3-(Benzoylamino)-2-methyl-1-oxopropoxy]-16,17-[[[4-(dimethylamino)phenyl]methylene]bis(oxy)]-9-fluoro-11-hydroxypregna-1,4-diene-3,20-dione

Systematic Name

English

Taucorten

Brand Name

English

Code System Code Type Description

CAS

51241-99-7