OZOGAMICIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C73H97IN6O25S3
Molecular Weight	1681.676
Optical Activity	UNSPECIFIED
Defined Stereocenters	19 / 19
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(C[C@H](OC)[C@H](CO1)N(CC)C(C)=O)O[C@@H]2[C@@H](O)[C@H](NO[C@H]3C[C@H](O)[C@H](SC(=O)C4=C(C)C(I)=C(O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](OC)[C@H]5O)C(OC)=C4OC)[C@@H](C)O3)[C@@H](C)O[C@@]2([H])O[C@H]6C#CC=CC#C[C@]7(O)CC(=O)C(NC(=O)OC)=C6\C7=C/CSSC(C)(C)CC(=O)N\N=C(/C)C8=CC=C(OCCCC(N)=O)C=C8

InChI

InChIKey=HNMATTJJEPZZMM-BPKVFSPJSA-N

InChI=1S/C73H97IN6O25S3/c1-15-80(41(7)81)45-35-98-52(32-49(45)92-10)103-65-60(87)57(79-105-53-31-46(82)67(40(6)99-53)107-68(89)54-36(2)56(74)63(66(95-13)62(54)93-11)104-69-61(88)64(94-12)59(86)39(5)101-69)38(4)100-70(65)102-48-21-18-16-17-19-28-73(91)33-47(83)58(76-71(90)96-14)55(48)44(73)27-30-106-108-72(8,9)34-51(85)78-77-37(3)42-23-25-43(26-24-42)97-29-20-22-50(75)84/h16-17,23-27,38-40,45-46,48-49,52-53,57,59-61,64-65,67,69-70,79,82,86-88,91H,15,20,22,29-35H2,1-14H3,(H2,75,84)(H,76,90)(H,78,85)/b17-16-,44-27+,77-37+/t38-,39+,40-,45+,46+,48+,49+,52+,53+,57-,59+,60+,61-,64-,65-,67-,69+,70+,73+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C73H97IN6O25S3
Molecular Weight	1681.676
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	19 / 19
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 07:59:05 GMT 2023` Edited by `admin` on `Sat Dec 16 07:59:05 GMT 2023`
Record UNII	EDM24GA51F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

OZOGAMICIN

Official Name

English

ozogamicin [INN]

Common Name

English

Code System Code Type Description

FDA UNII

EDM24GA51F