IRINOTECAN SUCROSOFATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	4C33H38N4O6.C12H22O35S8
Molecular Weight	3329.514
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 13
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCC1=C2C=C(OC(=O)N3CCC(CC3)N4CCCCC4)C=CC2=NC5=C1CN6C5=CC7=C(COC(=O)[C@]7(O)CC)C6=O.CCC8=C9C=C(OC(=O)N%10CCC(CC%10)N%11CCCCC%11)C=CC9=NC%12=C8CN%13C%12=CC%14=C(COC(=O)[C@]%14(O)CC)C%13=O.CCC%15=C%16C=C(OC(=O)N%17CCC(CC%17)N%18CCCCC%18)C=CC%16=NC%19=C%15CN%20C%19=CC%21=C(COC(=O)[C@]%21(O)CC)C%20=O.CCC%22=C%23C=C(OC(=O)N%24CCC(CC%24)N%25CCCCC%25)C=CC%23=NC%26=C%22CN%27C%26=CC%28=C(COC(=O)[C@]%28(O)CC)C%27=O.OS(=O)(=O)OC[C@H]%29O[C@@](COS(O)(=O)=O)(O[C@H]%30O[C@H](COS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@H]%30OS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@@H]%29OS(O)(=O)=O

InChI

InChIKey=BCPSLKYBXGKPIW-RTXWKGGWSA-N

InChI=1S/4C33H38N4O6.C12H22O35S8/c4*1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(26,41)4-2;13-48(14,15)37-1-4-6(43-51(22,23)24)8(45-53(28,29)30)9(46-54(31,32)33)11(40-4)42-12(3-39-50(19,20)21)10(47-55(34,35)36)7(44-52(25,26)27)5(41-12)2-38-49(16,17)18/h4*8-9,16-17,20,41H,3-7,10-15,18-19H2,1-2H3;4-11H,1-3H2,(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36)/t4*33-;4-,5-,6-,7-,8+,9-,10+,11-,12+/m00001/s1

HIDE SMILES / InChI

Molecular Formula	C33H38N4O6
Molecular Weight	586.678
Charge	0
Count

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

Molecular Formula	C12H22O35S8
Molecular Weight	982.802
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:58:34 UTC 2023` Edited by `admin` on `Sat Dec 16 09:58:34 UTC 2023`
Record UNII	OL741S3N8B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

IRINOTECAN SUCROSOFATE

Official Name

English

IRINOTECAN SUCROSOFATE [USAN]

Common Name

English

MM-398

Code

English

Irinotecan sucrosofate [WHO-DD]

Common Name

English

PEP-02

Code

English

SULFATE OF SUCROSE (ESTER) AND OF IRINOTECAN (SALT): SUCROSE OCTAKIS(HYDROGEN SULFATE) SALT WITH (4S)-4,11-DIETHYL-4-HYDROXY-3,14-DIOXO-3,4,12,14-TETRAHYDRO-1H-PYRANO(3',4':6,7)INDOLIZINO(1,2-B)QUINOLIN-9-YL (1,4'-BIPIPERIDINE)-1'-CARBOXYLATE

Systematic Name

English

Code System Code Type Description

SMS_ID

100000175102