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Details

Stereochemistry ABSOLUTE
Molecular Formula C32H43N5O4.ClH
Molecular Weight 598.176
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of XEVINAPANT HYDROCHLORIDE

SMILES

Cl.[H][C@]12CC[C@H](N1C(=O)[C@H](CN(CC2)C(=O)CC(C)C)NC(=O)[C@H](C)NC)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChIKey=DBXTZCYPHKJCHF-ZZPLZQMBSA-N
InChI=1S/C32H43N5O4.ClH/c1-21(2)19-28(38)36-18-17-25-15-16-27(37(25)32(41)26(20-36)34-30(39)22(3)33-4)31(40)35-29(23-11-7-5-8-12-23)24-13-9-6-10-14-24;/h5-14,21-22,25-27,29,33H,15-20H2,1-4H3,(H,34,39)(H,35,40);1H/t22-,25+,26-,27-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C32H43N5O4
Molecular Weight 561.7149
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:44:38 UTC 2023
Edited
by admin
on Sat Dec 16 14:44:38 UTC 2023
Record UNII
73T1W2MF9C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
XEVINAPANT HYDROCHLORIDE
Common Name English
PYRROLO(1,2-A)(1,5)DIAZOCINE-8-CARBOXAMIDE, N-(DIPHENYLMETHYL)DECAHYDRO-5-(((2S)-2-(METHYLAMINO)-1-OXOPROPYL)AMINO)-3-(3-METHYL-1-OXOBUTYL)-6-OXO-, HYDROCHLORIDE (1:1), (5S,8S,10AR)-
Systematic Name English
Code System Code Type Description
CAS
1071992-57-8
Created by admin on Sat Dec 16 14:44:38 UTC 2023 , Edited by admin on Sat Dec 16 14:44:38 UTC 2023
PRIMARY
PUBCHEM
25022339
Created by admin on Sat Dec 16 14:44:38 UTC 2023 , Edited by admin on Sat Dec 16 14:44:38 UTC 2023
PRIMARY
FDA UNII
73T1W2MF9C
Created by admin on Sat Dec 16 14:44:38 UTC 2023 , Edited by admin on Sat Dec 16 14:44:38 UTC 2023
PRIMARY
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