CISTINEXINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C50H60Br4N6O6S2
Molecular Weight	1224.794
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN(CC1=C(NC(=O)[C@H](CSSC[C@H](NC(=O)OCC2=CC=CC=C2)C(=O)NC3=C(CN(C)C4CCCCC4)C=C(Br)C=C3Br)NC(=O)OCC5=CC=CC=C5)C(Br)=CC(Br)=C1)C6CCCCC6

InChI

InChIKey=UVOSLKVETODLTR-CXNSMIOJSA-N

InChI=1S/C50H60Br4N6O6S2/c1-59(39-19-11-5-12-20-39)27-35-23-37(51)25-41(53)45(35)57-47(61)43(55-49(63)65-29-33-15-7-3-8-16-33)31-67-68-32-44(56-50(64)66-30-34-17-9-4-10-18-34)48(62)58-46-36(24-38(52)26-42(46)54)28-60(2)40-21-13-6-14-22-40/h3-4,7-10,15-18,23-26,39-40,43-44H,5-6,11-14,19-22,27-32H2,1-2H3,(H,55,63)(H,56,64)(H,57,61)(H,58,62)/t43-,44-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C50H60Br4N6O6S2
Molecular Weight	1224.794
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:02:10 UTC 2023` Edited by `admin` on `Fri Dec 15 16:02:10 UTC 2023`
Record UNII	62VR67FK8E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CISTINEXINE

Official Name

English

cistinexine [INN]

Common Name

English

CISTINEXINE [MART.]

Common Name

English

DIBENZYL (DITHIOBIS((R)-1-((4,6-DIBROMO-.ALPHA.-(CYCLOHEXYLMETHYLAMINO)-O-TOLYL)CARBAMOYL)ETHYLENE))DICARBAMATE

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C74536