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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H35F3N4O3S.2BrH
Molecular Weight 714.476
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VIMIROGANT DIHYDROBROMIDE

SMILES

Br.Br.CCS(=O)(=O)C1=CC=C(CNC(=O)C2=CN=C3[C@H](C(C)C)N(C[C@H]4CC[C@@H](CC4)C(F)(F)F)CC3=C2)N=C1

InChI

InChIKey=JLYWPWGQFDWIFY-ZCLOLVOBSA-N
InChI=1S/C27H35F3N4O3S.2BrH/c1-4-38(36,37)23-10-9-22(31-14-23)13-33-26(35)19-11-20-16-34(25(17(2)3)24(20)32-12-19)15-18-5-7-21(8-6-18)27(28,29)30;;/h9-12,14,17-18,21,25H,4-8,13,15-16H2,1-3H3,(H,33,35);2*1H/t18-,21-,25-;;/m0../s1

HIDE SMILES / InChI

Molecular Formula BrH
Molecular Weight 80.912
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C27H35F3N4O3S
Molecular Weight 552.652
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:19:17 GMT 2023
Edited
by admin
on Sat Dec 16 11:19:17 GMT 2023
Record UNII
QUU102ZI20
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VIMIROGANT DIHYDROBROMIDE
Common Name English
5H-PYRROLO(3,4-B)PYRIDINE-3-CARBOXAMIDE, N-((5-(ETHYLSULFONYL)-2-PYRIDINYL)METHYL)-6,7-DIHYDRO-7-(1-METHYLETHYL)-6-((TRANS-4-(TRIFLUOROMETHYL)CYCLOHEXYL)METHYL)-, HYDROBROMIDE (1:2), (7S)-
Systematic Name English
Code System Code Type Description
SMS_ID
300000005363
Created by admin on Sat Dec 16 11:19:17 GMT 2023 , Edited by admin on Sat Dec 16 11:19:17 GMT 2023
PRIMARY
CAS
2115761-82-3
Created by admin on Sat Dec 16 11:19:17 GMT 2023 , Edited by admin on Sat Dec 16 11:19:17 GMT 2023
PRIMARY
FDA UNII
QUU102ZI20
Created by admin on Sat Dec 16 11:19:17 GMT 2023 , Edited by admin on Sat Dec 16 11:19:17 GMT 2023
PRIMARY
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