BIRABRESIB DIHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H22ClN5O2S.2H2O
Molecular Weight	528.023
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.O.CC1=NN=C2[C@H](CC(=O)NC3=CC=C(O)C=C3)N=C(C4=C(SC(C)=C4C)N12)C5=CC=C(Cl)C=C5

InChI

InChIKey=LZLFEVJSMKCZGE-FJSYBICCSA-N

InChI=1S/C25H22ClN5O2S.2H2O/c1-13-14(2)34-25-22(13)23(16-4-6-17(26)7-5-16)28-20(24-30-29-15(3)31(24)25)12-21(33)27-18-8-10-19(32)11-9-18;;/h4-11,20,32H,12H2,1-3H3,(H,27,33);2*1H2/t20-;;/m0../s1

HIDE SMILES / InChI

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

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

Molecular Formula	C25H22ClN5O2S
Molecular Weight	491.992
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:39:30 UTC 2023` Edited by `admin` on `Fri Dec 15 17:39:30 UTC 2023`
Record UNII	4Q356KA5V2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BIRABRESIB DIHYDRATE

Common Name

English

OTX015 DIHYDRATE

Code

English

OTX-015 DIHYDRATE

Code

English

6H-THIENO(3,2-F)(1,2,4)TRIAZOLO(4,3-A)(1,4)DIAZEPINE-6-ACETAMIDE, 4-(4-CHLOROPHENYL)-N-(4-HYDROXYPHENYL)-2,3,9-TRIMETHYL-, HYDRATE (1:2), (6S)-

Systematic Name

English

MK-8628 DIHYDRATE

Code

English

Y-803

Code

English

Classification Tree Code System Code

FDA ORPHAN DRUG

433914