AZD-5991

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C35H34ClN5O3S2
Molecular Weight	672.259
Optical Activity	NONE
Additional Stereochemistry	Yes
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0
Stereo Comments	Axial stereochemistry

SHOW SMILES / InChI

Structure Search

SMILES

CN1N=C2CSCC3=NN(C)C(C)=C3C4=C(Cl)C=CC5=C4N(C)C(C(O)=O)=C5CCCOC6=CC(SCC1=C2)=CC7=C6C=CC=C7

InChI

InChIKey=KBQCEQAXHPIRTF-UHFFFAOYSA-N

InChI=1S/C35H34ClN5O3S2/c1-20-31-29(38-40(20)3)19-45-17-22-15-23(41(4)37-22)18-46-24-14-21-8-5-6-9-25(21)30(16-24)44-13-7-10-26-27-11-12-28(36)32(31)33(27)39(2)34(26)35(42)43/h5-6,8-9,11-12,14-16H,7,10,13,17-19H2,1-4H3,(H,42,43)

HIDE SMILES / InChI

Molecular Formula	C35H34ClN5O3S2
Molecular Weight	672.259
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 14:00:17 GMT 2023` Edited by `admin` on `Sat Dec 16 14:00:17 GMT 2023`
Record UNII	E3T5XXY9HX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AZD-5991

Code

English

AZD 5991 [WHO-DD]

Common Name

English

AZD5991

Code

English

17-CHLORO-5,13,14,22-TETRAMETHYL-28-OXA-2,9-DITHIA-5,6,12,13,22-PENTAAZAHEPTACYCLO(27.7.1.14.7.011,15.016,21.020,24.030,35)OCTATRIACONTA1(37),4(38),6,11,14,16,18,20,23,31,33,35-TRIDECAENE-23-CARBOXYLIC ACID

Systematic Name

English

Code System Code Type Description

CAS

2143061-82-7